3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol

C9H14F2OSi — CID 131746836

IUPAC3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CC(F)(F)C1
InChIInChI=1S/C9H14F2OSi/c1-13(2,3)5-4-8(12)6-9(10,11)7-8/h12H,6-7H2,1-3H3
InChIKeyOMKXFCCFUCMTMM-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.03
Rot. Bonds

About 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol

3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol (PubChem CID 131746836) has the molecular formula C9H14F2OSi and a molecular weight of 204.29 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
PubChem CID131746836
Molecular FormulaC9H14F2OSi
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CC(F)(F)C1
InChIInChI=1S/C9H14F2OSi/c1-13(2,3)5-4-8(12)6-9(10,11)7-8/h12H,6-7H2,1-3H3
InChIKeyOMKXFCCFUCMTMM-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.03
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 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol (CID 131746836) is 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol is C[Si](C)(C)C#CC1(O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
The InChIKey is OMKXFCCFUCMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2OSi/c1-13(2,3)5-4-8(12)6-9(10,11)7-8/h12H,6-7H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol?
3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol has a molecular weight of 204.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-trimethylsilylethynyl)cyclobutan-1-ol is sourced from PubChem (CID 131746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).