2-hydroxybutane-1-sulfonyl fluoride

C4H9FO3S — CID 115012136

IUPAC2-hydroxybutane-1-sulfonyl fluoride
SMILESCCC(O)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-2-4(6)3-9(5,7)8/h4,6H,2-3H2,1H3
InChIKeyPVUFPOOWASSQGG-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.06
Rot. Bonds3

About 2-hydroxybutane-1-sulfonyl fluoride

2-hydroxybutane-1-sulfonyl fluoride (PubChem CID 115012136) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxybutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxybutane-1-sulfonyl fluoride
PubChem CID115012136
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name2-hydroxybutane-1-sulfonyl fluoride
SMILESCCC(O)CS(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-2-4(6)3-9(5,7)8/h4,6H,2-3H2,1H3
InChIKeyPVUFPOOWASSQGG-UHFFFAOYSA-N
XLogP0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxybutane-1-sulfonyl fluoride (CID 115012136) is 2-hydroxybutane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxybutane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxybutane-1-sulfonyl fluoride is CCC(O)CS(=O)(=O)F.
What is the InChIKey of 2-hydroxybutane-1-sulfonyl fluoride?
The InChIKey is PVUFPOOWASSQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-2-4(6)3-9(5,7)8/h4,6H,2-3H2,1H3.
What are the key properties of 2-hydroxybutane-1-sulfonyl fluoride?
2-hydroxybutane-1-sulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutane-1-sulfonyl fluoride is sourced from PubChem (CID 115012136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).