(2-Fluorocyclopropyl)benzene

CAS Number: 62360-07-0
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FC(C1)C1c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H9F
Molecular Weight
136.168
Drug-likeness
-1.7848
CAS
62360-07-0
InChI key
JOEQACXXKPWIAT-UHFFFAOYSA-N
SMILES
FC(C1)C1c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62360-07-0
Molecule Name (2-Fluorocyclopropyl)benzene
Molecular Formula C9H9F
SMILES FC(C1)C1c1ccccc1
InChI InChI=1S/C9H9F/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChI Key JOEQACXXKPWIAT-UHFFFAOYSA-N
CanonicalSyTyLFy 1704defd0ad18564
TotalMolweight 136.168
Molecular Weight 136.168
MonoisotopicMass 136.068828
CLogP 2.6194
CLogS -2.756
TotalSurfaceArea 104.87
Drug-likeness -1.7848
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.41784
Molecular Complexity 0.63561
Fragments 1
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 2
StereoCon unknown chirality

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