2-(2,2-difluoro-1-phenylethyl)oxasilinane

C12H16F2OSi — CID 175333243

IUPAC2-(2,2-difluoro-1-phenylethyl)oxasilinane
SMILESFC(F)C(c1ccccc1)[SiH]1CCCCO1
InChIInChI=1S/C12H16F2OSi/c13-12(14)11(10-6-2-1-3-7-10)16-9-5-4-8-15-16/h1-3,6-7,11-12,16H,4-5,8-9H2
InChIKeyDQWISLLRDIIPSF-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,2-difluoro-1-phenylethyl)oxasilinane

2-(2,2-difluoro-1-phenylethyl)oxasilinane (PubChem CID 175333243) has the molecular formula C12H16F2OSi and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-phenylethyl)oxasilinane.

Molecular Properties

Compound Name2-(2,2-difluoro-1-phenylethyl)oxasilinane
PubChem CID175333243
Molecular FormulaC12H16F2OSi
Molecular Weight242.34 g/mol
Exact Mass242.09
IUPAC Name2-(2,2-difluoro-1-phenylethyl)oxasilinane
SMILESFC(F)C(c1ccccc1)[SiH]1CCCCO1
InChIInChI=1S/C12H16F2OSi/c13-12(14)11(10-6-2-1-3-7-10)16-9-5-4-8-15-16/h1-3,6-7,11-12,16H,4-5,8-9H2
InChIKeyDQWISLLRDIIPSF-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
Triethoxy(4-(trifluoromethyl)phenyl)silane
CID 11858742
trimethyl-[(E)-2-phenylprop-1-enoxy]silane
CID 6387112
Phenethyltriethoxysilane
CID 11097560
Fluoro(fluoromethyl)(2-phenylethoxy)(trifluoromethyl)silane
CID 53400579
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 12965436
Silane, triethoxy[3-(trifluoromethyl)phenyl]-
CID 11312860
1,1,1-Trifluoro-2-(trimethylsiloxy)-4-phenyl-3-butene
CID 11448725
Diethoxymethyl(2-phenylethyl)silane
CID 18787774
Methoxy-dimethyl-[4-(trifluoromethyl)phenyl]silane
CID 71489474
Triethyl(3-phenylpropoxy)silane
CID 561771
Tert-butyldimethyl(3-phenylpropoxy)silane
CID 10083485

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-phenylethyl)oxasilinane?
The IUPAC name of 2-(2,2-difluoro-1-phenylethyl)oxasilinane (CID 175333243) is 2-(2,2-difluoro-1-phenylethyl)oxasilinane.
What is the SMILES notation for 2-(2,2-difluoro-1-phenylethyl)oxasilinane?
The canonical SMILES for 2-(2,2-difluoro-1-phenylethyl)oxasilinane is FC(F)C(c1ccccc1)[SiH]1CCCCO1.
What is the InChIKey of 2-(2,2-difluoro-1-phenylethyl)oxasilinane?
The InChIKey is DQWISLLRDIIPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2OSi/c13-12(14)11(10-6-2-1-3-7-10)16-9-5-4-8-15-16/h1-3,6-7,11-12,16H,4-5,8-9H2.
What are the key properties of 2-(2,2-difluoro-1-phenylethyl)oxasilinane?
2-(2,2-difluoro-1-phenylethyl)oxasilinane has a molecular weight of 242.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-phenylethyl)oxasilinane is sourced from PubChem (CID 175333243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).