(1E)-N-Cyclohexylethanimidoyl fluoride

CAS Number: 23604-71-9
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C/C(/F)=N\C1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H14NF
Molecular Weight
143.204
Drug-likeness
-8.1032
CAS
23604-71-9
InChI key
FKDPDXIXDRMVJX-UHFFFAOYSA-N
SMILES
C/C(/F)=N\C1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 23604-71-9
Molecule Name (1E)-N-Cyclohexylethanimidoyl fluoride
Molecular Formula C8H14NF
SMILES C/C(/F)=N\C1CCCCC1
InChI InChI=1S/C8H14FN/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key FKDPDXIXDRMVJX-UHFFFAOYSA-N
CanonicalSyTyLFy e48b78e404ddb15a
TotalMolweight 143.204
Molecular Weight 143.204
MonoisotopicMass 143.111027
CLogP 2.0841
CLogS -2.671
H Acceptors 1
TotalSurfaceArea 122.88
Relative PSA 0.093669
PolarSurfaceArea 12.36
Drug-likeness -8.1032
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions acyl-halogenide type
Shape Index 0.7
Molecula Flexibility 0.2036
Molecular Complexity 0.52781
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2
BasicNitrogens 1

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