1-(3-Chloro-4-fluorophenyl)pyrrolidine

CAS Number: 1000339-33-2
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Fc(ccc(N1CCCC1)c1)c1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H11NClF
Molecular Weight
199.655
Drug-likeness
0.76
CAS
1000339-33-2
InChI key
RYEWSNZSVSTBSF-UHFFFAOYSA-N
SMILES
Fc(ccc(N1CCCC1)c1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000339-33-2
Molecule Name 1-(3-Chloro-4-fluorophenyl)pyrrolidine
Molecular Formula C10H11NClF
SMILES Fc(ccc(N1CCCC1)c1)c1Cl
InChI InChI=1S/C10H11ClFN/c11-9-7-8(3-4-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChI Key RYEWSNZSVSTBSF-UHFFFAOYSA-N
CanonicalSyTyLFy 8f46acfc038f6176
TotalMolweight 199.655
Molecular Weight 199.655
MonoisotopicMass 199.056404
CLogP 2.8574
CLogS -3.388
H Acceptors 1
TotalSurfaceArea 146.87
Relative PSA 0.024171
PolarSurfaceArea 3.24
Drug-likeness 0.76
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.61538
Molecula Flexibility 0.38161
Molecular Complexity 0.62239
Fragments 1
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2
Amines 1
Aromatic Amines 1

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