3-[4-(trifluoromethyl)phenyl]pyrrolidine

Formula:C11H12NF3 CAS:1000198-76-4 ChemrytIQ

PropertyValue
Casrn1000198-76-4
MolName3-[4-(trifluoromethyl)phenyl]pyrrolidine
MolecularFormulaC11H12NF3
SmilesFC(c1ccc(C2CNCC2)cc1)(F)F
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2/t9-/m0/s1
InChIKMMHBTMCYKWWNNS-VIFPVBQESA-N
CanonicalSyTyLFyb81a0803d1032b76
TotalMolweight215.217
Molweight215.217
MonoisotopicMass215.092183
CLogP2.9952
CLogS-2.866
H Acceptors1
H Donors1
TotalSurfaceArea154.46
Relative PSA0.074194
PolarSurfaceArea12.03
Druglikeness-5.8988
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Molecula Flexibility0.45501
Molecular Complexity0.63799
Fragments1
Non HAtoms15
NonCHAtoms4
Electronegative Atoms4
StereoCenters1
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms4
Amines1
AlkylAmines1
BasicNitrogens1
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
1000269-68-0nonenonenoneC14H24N4248.3730.99367 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
100-54-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100-64-1highhighnoneC6H11NO113.159-6.4182 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
100008-84-2nonenonenoneC22H14N2O2338.3653.1859 ChemrytIQ
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411 ChemrytIQ
1000-91-5nonenonehighC5H14OSi118.251-35.679 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
1000-00-6nonenonehighC10H26OSi2218.487-62.76 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712 ChemrytIQ
10-35-5nonenonenoneC4H6O2BrF184.992-23.473 ChemrytIQ
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766 ChemrytIQ
100-91-4nonenonehighC17H25NO3291.393.3475 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821 ChemrytIQ
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
1000-58-4highhighhighC4H8Cl4Si226.006-54.611 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ
100-23-2nonehighnoneC8H10N2O2166.179-5.0759 ChemrytIQ
10-18-2004nonenonenoneC6H8OS2160.261-3.1913 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926 ChemrytIQ
100-89-0nonenonelowC18H36O6B2370.1-16.157 ChemrytIQ
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926 ChemrytIQ
100-34-5nonenonenoneCl.C6H5N2105.12-4.365 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
100-09-4nonenonenoneC8H8O3152.149-1.597 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
100002-29-7nonenonenoneC12H18N2O3238.2862.8956 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
1000-69-7highnonelowC7H18SSn252.996-9.6969 ChemrytIQ
100-61-8highnonenoneC7H9N107.155-0.23765 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100021-46-3nonenonenoneC9H11NO2165.191-3.1955 ChemrytIQ
100-44-7highhighnoneC7H7Cl126.586-2.365 ChemrytIQ
100-15-2nonehighnoneC7H8N2O2152.153-5.7806 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ