4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol

C7H11F3OSi — CID 148674502

IUPAC4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol
SMILESC[SiH](C)C#CC(C)(O)C(F)(F)F
InChIInChI=1S/C7H11F3OSi/c1-6(11,7(8,9)10)4-5-12(2)3/h11-12H,1-3H3
InChIKeyNQJKDTQXNOPKPW-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.33
Rot. Bonds

About 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol

4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol (PubChem CID 148674502) has the molecular formula C7H11F3OSi and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol
PubChem CID148674502
Molecular FormulaC7H11F3OSi
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol
SMILESC[SiH](C)C#CC(C)(O)C(F)(F)F
InChIInChI=1S/C7H11F3OSi/c1-6(11,7(8,9)10)4-5-12(2)3/h11-12H,1-3H3
InChIKeyNQJKDTQXNOPKPW-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.33
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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Related Compounds

1,1,1-Trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
CID 22714288
1,1,1-Trifluoro-2-methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 59774880
3-Trifluoromethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 59774905
3-(Trifluoromethyl)-5-trimethylsilylpent-1-yn-3-ol
CID 87244259
1,1-Difluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 168233844
3,3-Difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 15495758
(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635877
(2S)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 124635878

Frequently Asked Questions

What is the IUPAC name of 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol (CID 148674502) is 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol is C[SiH](C)C#CC(C)(O)C(F)(F)F.
What is the InChIKey of 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol?
The InChIKey is NQJKDTQXNOPKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3OSi/c1-6(11,7(8,9)10)4-5-12(2)3/h11-12H,1-3H3.
What are the key properties of 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol?
4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol has a molecular weight of 196.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 148674502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).