1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol

C8H10F6OSi — CID 22714288

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6OSi/c1-16(2,3)5-4-6(15,7(9,10)11)8(12,13)14/h15H,1-3H3
InChIKeyBPIGTQDGLRIOCM-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.72
Rot. Bonds

About 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol

1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 22714288) has the molecular formula C8H10F6OSi and a molecular weight of 264.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
PubChem CID22714288
Molecular FormulaC8H10F6OSi
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
SMILESC[Si](C)(C)C#CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6OSi/c1-16(2,3)5-4-6(15,7(9,10)11)8(12,13)14/h15H,1-3H3
InChIKeyBPIGTQDGLRIOCM-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.72
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 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol (CID 22714288) is 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol is C[Si](C)(C)C#CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is BPIGTQDGLRIOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6OSi/c1-16(2,3)5-4-6(15,7(9,10)11)8(12,13)14/h15H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol?
1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 264.24 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 22714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).