Cyclohexylamine, N-(2-fluoroethyl)-, hydrochloride

CAS Number: 673-37-0
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FCCNC1CCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H16NF
Molecular Weight
145.22
Drug-likeness
-6.0814
CAS
673-37-0
InChI key
YDTKTDBYJIXYEM-UHFFFAOYSA-N
SMILES
FCCNC1CCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 673-37-0
Molecule Name Cyclohexylamine, N-(2-fluoroethyl)-, hydrochloride
Molecular Formula HCl.C8H16NF
SMILES FCCNC1CCCCC1.Cl
InChI InChI=1S/C8H16FN.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h8,10H,1-7H2;1H
InChI Key YDTKTDBYJIXYEM-UHFFFAOYSA-N
CanonicalSyTyLFy 8ead37dfb052506e
TotalMolweight 181.681
Molecular Weight 145.22
MonoisotopicMass 145.126677
CLogP 1.3343
CLogS -2.118
H Acceptors 1
H Donors 1
TotalSurfaceArea 126.63
Relative PSA 0.0905
PolarSurfaceArea 12.03
Drug-likeness -6.0814
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.51379
Molecular Complexity 0.49698
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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