3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one

C12H22F2O2Si — CID 100963722

IUPAC3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)C1(O)CCCC(=O)C1(F)F
InChIInChI=1S/C12H22F2O2Si/c1-10(2,3)17(4,5)11(16)8-6-7-9(15)12(11,13)14/h16H,6-8H2,1-5H3
InChIKeyOOHSMDIJAIAWCC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.15
Rot. Bonds1

About 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one

3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one (PubChem CID 100963722) has the molecular formula C12H22F2O2Si and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one
PubChem CID100963722
Molecular FormulaC12H22F2O2Si
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)C1(O)CCCC(=O)C1(F)F
InChIInChI=1S/C12H22F2O2Si/c1-10(2,3)17(4,5)11(16)8-6-7-9(15)12(11,13)14/h16H,6-8H2,1-5H3
InChIKeyOOHSMDIJAIAWCC-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one (CID 100963722) is 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)C1(O)CCCC(=O)C1(F)F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one?
The InChIKey is OOHSMDIJAIAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2Si/c1-10(2,3)17(4,5)11(16)8-6-7-9(15)12(11,13)14/h16H,6-8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one?
3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one has a molecular weight of 264.39 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-2,2-difluoro-3-hydroxycyclohexan-1-one is sourced from PubChem (CID 100963722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).