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

C8H13F3OSi — CID 124635877

IUPAC(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESC[C@@](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/t7-/m1/s1
InChIKeyVMUDBYXRQGKKHB-SSDOTTSWSA-N
MW210.27 g/mol
LogP2.18
Rot. Bonds

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

(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 124635877) has the molecular formula C8H13F3OSi and a molecular weight of 210.27 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
PubChem CID124635877
Molecular FormulaC8H13F3OSi
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name(2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
SMILESC[C@@](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/t7-/m1/s1
InChIKeyVMUDBYXRQGKKHB-SSDOTTSWSA-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'}

Analyze (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol with MolForge

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Related Compounds

(3S)-3,4,4-trimethyl-1-trimethylsilylpent-1-yn-3-ol
CID 11401366
(3R)-3-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 12630624
(3-chloro-3-methylbut-1-ynyl)-trimethylsilane;2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 159934607
4,4-difluoro-1,7-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)hepta-1,6-diyn-3-ol
CID 54590419
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
trimethyl-(2-methyl-4-trimethylsilylbut-3-yn-2-yl)silane
CID 552884
(5,5,5-trifluoro-4-hydroxy-4-methylpent-2-ynyl)carbamic acid
CID 151886577
(2S,3R)-2-methyl-2-(2-trimethylsilylethynyl)butane-1,3-diol
CID 11827016
2-(5-methyl-1H-imidazol-2-yl)-4-trimethylsilylbut-3-yn-2-ol
CID 141345617
6,6-dimethyl-1-trimethylsilylhepta-1,4-diyn-3-one
CID 140863657
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;hydroxy(trimethyl)silane;zinc
CID 87619953
(3-diethoxyphosphoryl-3,3-difluoroprop-1-ynyl)-trimethylsilane
CID 71662126

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol (CID 124635877) is (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol is C[C@@](O)(C#C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is VMUDBYXRQGKKHB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3OSi/c1-7(12,8(9,10)11)5-6-13(2,3)4/h12H,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol?
(2R)-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 (2R)-1,1,1-trifluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 124635877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).