2-methylpropane-1-sulfonyl fluoride

C4H9FO2S — CID 56604709

IUPAC2-methylpropane-1-sulfonyl fluoride
SMILESCC(C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
InChIKeyFQGRTWKPZRVHRY-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.94
Rot. Bonds2

About 2-methylpropane-1-sulfonyl fluoride

2-methylpropane-1-sulfonyl fluoride (PubChem CID 56604709) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylpropane-1-sulfonyl fluoride
PubChem CID56604709
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name2-methylpropane-1-sulfonyl fluoride
SMILESCC(C)CS(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
InChIKeyFQGRTWKPZRVHRY-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1-sulfonyl fluoride?
The IUPAC name of 2-methylpropane-1-sulfonyl fluoride (CID 56604709) is 2-methylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methylpropane-1-sulfonyl fluoride?
The canonical SMILES for 2-methylpropane-1-sulfonyl fluoride is CC(C)CS(=O)(=O)F.
What is the InChIKey of 2-methylpropane-1-sulfonyl fluoride?
The InChIKey is FQGRTWKPZRVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropane-1-sulfonyl fluoride?
2-methylpropane-1-sulfonyl fluoride has a molecular weight of 140.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 56604709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).