(2,4-Difluorophenylethynyl)trimethylsilane

CAS Number: 480438-92-4
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C[Si](C)(C)C#Cc(ccc(F)c1)c1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C11H12F2Si
Molecular Weight
210.298
Drug-likeness
-59.164
CAS
480438-92-4
InChI key
SWLZYZRQYWWIJU-UHFFFAOYSA-N
SMILES
C[Si](C)(C)C#Cc(ccc(F)c1)c1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 480438-92-4
Molecule Name (2,4-Difluorophenylethynyl)trimethylsilane
Molecular Formula C11H12F2Si
SMILES C[Si](C)(C)C#Cc(ccc(F)c1)c1F
InChI InChI=1S/C11H12F2Si/c1-14(2,3)7-6-9-4-5-10(12)8-11(9)13/h4-5,8H,1-3H3
InChI Key SWLZYZRQYWWIJU-UHFFFAOYSA-N
CanonicalSyTyLFy 9adef1bf9051d84f
TotalMolweight 210.298
Molecular Weight 210.298
MonoisotopicMass 210.067633
CLogP 4.2135
CLogS -2.789
TotalSurfaceArea 166.04
Drug-likeness -59.164
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.64286
Molecula Flexibility 0.3196
Molecular Complexity 0.54695
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 2

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