1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol

C8H13F3OSi — CID 59774880

IUPAC1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(O)(C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3OSi/c1-7(12,8(9,10)11)5-6-13(2,3)4/h12H,1-4H3
InChIKeyVMUDBYXRQGKKHB-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.18
Rot. Bonds

About 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol

1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 59774880) has the molecular formula C8H13F3OSi and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
PubChem CID59774880
Molecular FormulaC8H13F3OSi
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(O)(C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3OSi/c1-7(12,8(9,10)11)5-6-13(2,3)4/h12H,1-4H3
InChIKeyVMUDBYXRQGKKHB-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.18
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-methyl-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol (CID 59774880) is 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol is CC(O)(C#C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is VMUDBYXRQGKKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OSi/c1-7(12,8(9,10)11)5-6-13(2,3)4/h12H,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.18, 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-methyl-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 59774880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).