propane-2-sulfonyl fluoride

C3H7FO2S — CID 14906825

IUPACpropane-2-sulfonyl fluoride
SMILESCC(C)S(=O)(=O)F
InChIInChI=1S/C3H7FO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKeyNFXYJSUNHPISQI-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.69
Rot. Bonds1

About propane-2-sulfonyl fluoride

propane-2-sulfonyl fluoride (PubChem CID 14906825) has the molecular formula C3H7FO2S and a molecular weight of 126.15 g/mol. Its IUPAC name is propane-2-sulfonyl fluoride.

Molecular Properties

Compound Namepropane-2-sulfonyl fluoride
PubChem CID14906825
Molecular FormulaC3H7FO2S
Molecular Weight126.15 g/mol
Exact Mass126.02
IUPAC Namepropane-2-sulfonyl fluoride
SMILESCC(C)S(=O)(=O)F
InChIInChI=1S/C3H7FO2S/c1-3(2)7(4,5)6/h3H,1-2H3
InChIKeyNFXYJSUNHPISQI-UHFFFAOYSA-N
XLogP0.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane-2-sulfonyl fluoride?
The IUPAC name of propane-2-sulfonyl fluoride (CID 14906825) is propane-2-sulfonyl fluoride.
What is the SMILES notation for propane-2-sulfonyl fluoride?
The canonical SMILES for propane-2-sulfonyl fluoride is CC(C)S(=O)(=O)F.
What is the InChIKey of propane-2-sulfonyl fluoride?
The InChIKey is NFXYJSUNHPISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2S/c1-3(2)7(4,5)6/h3H,1-2H3.
What are the key properties of propane-2-sulfonyl fluoride?
propane-2-sulfonyl fluoride has a molecular weight of 126.15 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-sulfonyl fluoride is sourced from PubChem (CID 14906825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).