2-hydroxy-3-methylbutane-1-sulfonyl fluoride

C5H11FO3S — CID 115013718

IUPAC2-hydroxy-3-methylbutane-1-sulfonyl fluoride
SMILESCC(C)C(O)CS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3
InChIKeyNCCDYQCCBVCRGM-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.30
Rot. Bonds3

About 2-hydroxy-3-methylbutane-1-sulfonyl fluoride

2-hydroxy-3-methylbutane-1-sulfonyl fluoride (PubChem CID 115013718) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 2-hydroxy-3-methylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxy-3-methylbutane-1-sulfonyl fluoride
PubChem CID115013718
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name2-hydroxy-3-methylbutane-1-sulfonyl fluoride
SMILESCC(C)C(O)CS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3
InChIKeyNCCDYQCCBVCRGM-UHFFFAOYSA-N
XLogP0.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbutane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxy-3-methylbutane-1-sulfonyl fluoride (CID 115013718) is 2-hydroxy-3-methylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxy-3-methylbutane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxy-3-methylbutane-1-sulfonyl fluoride is CC(C)C(O)CS(=O)(=O)F.
What is the InChIKey of 2-hydroxy-3-methylbutane-1-sulfonyl fluoride?
The InChIKey is NCCDYQCCBVCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-4(2)5(7)3-10(6,8)9/h4-5,7H,3H2,1-2H3.
What are the key properties of 2-hydroxy-3-methylbutane-1-sulfonyl fluoride?
2-hydroxy-3-methylbutane-1-sulfonyl fluoride has a molecular weight of 170.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 115013718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).