4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C11H18F2OSi — CID 163363990

IUPAC4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C11H18F2OSi/c1-15(2,3)9-8-10(14)4-6-11(12,13)7-5-10/h14H,4-7H2,1-3H3
InChIKeyZXFHKVPCWIVGGY-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.81
Rot. Bonds

About 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 163363990) has the molecular formula C11H18F2OSi and a molecular weight of 232.35 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID163363990
Molecular FormulaC11H18F2OSi
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCC(F)(F)CC1
InChIInChI=1S/C11H18F2OSi/c1-15(2,3)9-8-10(14)4-6-11(12,13)7-5-10/h14H,4-7H2,1-3H3
InChIKeyZXFHKVPCWIVGGY-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 163363990) is 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is ZXFHKVPCWIVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2OSi/c1-15(2,3)9-8-10(14)4-6-11(12,13)7-5-10/h14H,4-7H2,1-3H3.
What are the key properties of 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 163363990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).