1-(5-Fluoro-2-methylphenyl)pyrrolidine

CAS Number: 1000339-32-1
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Cc(ccc(F)c1)c1N1CCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H14NF
Molecular Weight
179.237
Drug-likeness
0.6275
CAS
1000339-32-1
InChI key
GOOZUHYJYYEFLB-UHFFFAOYSA-N
SMILES
Cc(ccc(F)c1)c1N1CCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000339-32-1
Molecule Name 1-(5-Fluoro-2-methylphenyl)pyrrolidine
Molecular Formula C11H14NF
SMILES Cc(ccc(F)c1)c1N1CCCC1
InChI InChI=1S/C11H14FN/c1-9-4-5-10(12)8-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChI Key GOOZUHYJYYEFLB-UHFFFAOYSA-N
CanonicalSyTyLFy 8fd169f54e7813d7
TotalMolweight 179.237
Molecular Weight 179.237
MonoisotopicMass 179.111027
CLogP 2.5953
CLogS -2.996
H Acceptors 1
TotalSurfaceArea 143.71
Relative PSA 0.024703
PolarSurfaceArea 3.24
Drug-likeness 0.6275
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecula Flexibility 0.38444
Molecular Complexity 0.63297
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 2
Amines 1
Aromatic Amines 1

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