1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol

C11H21FOSi — CID 86693093

IUPAC1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol
SMILESCC[Si](C#CC(C)(O)CF)(CC)CC
InChIInChI=1S/C11H21FOSi/c1-5-14(6-2,7-3)9-8-11(4,13)10-12/h13H,5-7,10H2,1-4H3
InChIKeyHTVMAJQWLLLZGI-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.76
Rot. Bonds4

About 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol

1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol (PubChem CID 86693093) has the molecular formula C11H21FOSi and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol
PubChem CID86693093
Molecular FormulaC11H21FOSi
Molecular Weight216.37 g/mol
Exact Mass216.13
IUPAC Name1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol
SMILESCC[Si](C#CC(C)(O)CF)(CC)CC
InChIInChI=1S/C11H21FOSi/c1-5-14(6-2,7-3)9-8-11(4,13)10-12/h13H,5-7,10H2,1-4H3
InChIKeyHTVMAJQWLLLZGI-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.76
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-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol?
The IUPAC name of 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol (CID 86693093) is 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol is CC[Si](C#CC(C)(O)CF)(CC)CC.
What is the InChIKey of 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol?
The InChIKey is HTVMAJQWLLLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FOSi/c1-5-14(6-2,7-3)9-8-11(4,13)10-12/h13H,5-7,10H2,1-4H3.
What are the key properties of 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol?
1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol has a molecular weight of 216.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-triethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 86693093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).