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
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100-52-7highhighhighC7H6O106.124-4.225 ChemrytIQ
100008-36-4nonenonenoneC17H22O2258.36-5.6379 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
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