4-Fluoro-1,1-dimethoxynon-2-ene

CAS Number: 195143-60-3
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CCCCCC(C=CC(OC)OC)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H21O2F
Molecular Weight
204.284
Drug-likeness
-19.66
CAS
195143-60-3
InChI key
LAQVXUMFJLQACF-JTQLQIEISA-N
SMILES
CCCCCC(C=CC(OC)OC)F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 195143-60-3
Molecule Name 4-Fluoro-1,1-dimethoxynon-2-ene
Molecular Formula C11H21O2F
SMILES CCCCCC(C=CC(OC)OC)F
InChI InChI=1S/C11H21FO2/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-11H,4-7H2,1-3H3/t10-/m0/s1
InChI Key LAQVXUMFJLQACF-JTQLQIEISA-N
CanonicalSyTyLFy 769cd43a49d9163a
TotalMolweight 204.284
Molecular Weight 204.284
MonoisotopicMass 204.152558
CLogP 2.8065
CLogS -2.392
H Acceptors 2
TotalSurfaceArea 183.17
Relative PSA 0.10919
PolarSurfaceArea 18.46
Drug-likeness -19.66
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.78571
Molecula Flexibility 0.5615
Molecular Complexity 0.45134
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 8
Sp3Atoms 11
Symmetricatoms 2
StereoCon racemate

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