(1,1-Difluoroprop-2-en-1-yl)(dimethyl)phenylsilane

CAS Number: 64545-26-2
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C[Si](C)(C(C=C)(F)F)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C11H14F2Si
Molecular Weight
212.314
Drug-likeness
-52.214
CAS
64545-26-2
InChI key
KRXCNRUVVZUGFQ-UHFFFAOYSA-N
SMILES
C[Si](C)(C(C=C)(F)F)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 64545-26-2
Molecule Name (1,1-Difluoroprop-2-en-1-yl)(dimethyl)phenylsilane
Molecular Formula C11H14F2Si
SMILES C[Si](C)(C(C=C)(F)F)c1ccccc1
InChI InChI=1S/C11H14F2Si/c1-4-11(12,13)14(2,3)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3
InChI Key KRXCNRUVVZUGFQ-UHFFFAOYSA-N
CanonicalSyTyLFy fe0178f0c5f11fd
TotalMolweight 212.314
Molecular Weight 212.314
MonoisotopicMass 212.083283
CLogP 4.7863
CLogS -3.203
TotalSurfaceArea 158.93
Drug-likeness -52.214
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant high
Shape Index 0.57143
Molecula Flexibility 0.61617
Molecular Complexity 0.55597
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 4

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