(2-Chloro-2-methylpropyl)(tetrafluoro)-lambda~5~-phosphane

CAS Number: 112031-34-2
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CC(C)(CP(F)(F)(F)F)Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C4H8ClF4P
Molecular Weight
198.527
Drug-likeness
-12.074
CAS
112031-34-2
InChI key
ZNCAYMWTVPIASL-UHFFFAOYSA-N
SMILES
CC(C)(CP(F)(F)(F)F)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 112031-34-2
Molecule Name (2-Chloro-2-methylpropyl)(tetrafluoro)-lambda~5~-phosphane
Molecular Formula C4H8ClF4P
SMILES CC(C)(CP(F)(F)(F)F)Cl
InChI InChI=1S/C4H8ClF4P/c1-4(2,5)3-10(6,7,8)9/h3H2,1-2H3
InChI Key ZNCAYMWTVPIASL-UHFFFAOYSA-N
CanonicalSyTyLFy 3bb908c4d85b0ca4
TotalMolweight 198.527
Molecular Weight 198.527
MonoisotopicMass 197.998826
CLogP 5.7227
CLogS 0.351
TotalSurfaceArea 123.26
Drug-likeness -12.074
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant low
Shape Index 0.5
Molecula Flexibility 0.52959
Molecular Complexity 0.51986
Fragments 1
Non HAtoms 10
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Sp3Atoms 5
Symmetricatoms 4

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