2-hydroxypropane-1-sulfonyl fluoride

C3H7FO3S — CID 115011461

IUPAC2-hydroxypropane-1-sulfonyl fluoride
SMILESCC(O)CS(=O)(=O)F
InChIInChI=1S/C3H7FO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3
InChIKeyMRERSXSUELTDBF-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.33
Rot. Bonds2

About 2-hydroxypropane-1-sulfonyl fluoride

2-hydroxypropane-1-sulfonyl fluoride (PubChem CID 115011461) has the molecular formula C3H7FO3S and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-hydroxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxypropane-1-sulfonyl fluoride
PubChem CID115011461
Molecular FormulaC3H7FO3S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Name2-hydroxypropane-1-sulfonyl fluoride
SMILESCC(O)CS(=O)(=O)F
InChIInChI=1S/C3H7FO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3
InChIKeyMRERSXSUELTDBF-UHFFFAOYSA-N
XLogP-0.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxypropane-1-sulfonyl fluoride (CID 115011461) is 2-hydroxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxypropane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxypropane-1-sulfonyl fluoride is CC(O)CS(=O)(=O)F.
What is the InChIKey of 2-hydroxypropane-1-sulfonyl fluoride?
The InChIKey is MRERSXSUELTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3.
What are the key properties of 2-hydroxypropane-1-sulfonyl fluoride?
2-hydroxypropane-1-sulfonyl fluoride has a molecular weight of 142.15 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 115011461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).