2-methylpropane-2-sulfonyl fluoride

C4H9FO2S — CID 118654439

IUPAC2-methylpropane-2-sulfonyl fluoride
SMILESCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-4(2,3)8(5,6)7/h1-3H3
InChIKeyWXZXSOSICNWLPZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.08
Rot. Bonds

About 2-methylpropane-2-sulfonyl fluoride

2-methylpropane-2-sulfonyl fluoride (PubChem CID 118654439) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methylpropane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylpropane-2-sulfonyl fluoride
PubChem CID118654439
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name2-methylpropane-2-sulfonyl fluoride
SMILESCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO2S/c1-4(2,3)8(5,6)7/h1-3H3
InChIKeyWXZXSOSICNWLPZ-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonyl fluoride
CID 12615
2-Methylpropane-2-sulfonyl chloride
CID 12503843
2-Methylpropane-1-sulfonyl fluoride
CID 56604709
2-Methylpropane-2-sulfinate
CID 6411723
t-Butyl sulfonate sodium salt
CID 23682520
Lithium 2-methylpropane-2-sulfonate
CID 134896192
2-Methylpentane-2-sulfonyl fluoride
CID 22935845
2-Methylbutane-2-sulfonyl fluoride
CID 22935896
2-Fluorobutane-2-sulfonyl fluoride
CID 22952367
Butane-2-sulfonyl fluoride
CID 56604173
1-Fluoro-2-methylpropane-2-sulfinate
CID 89437333
2,2-Dimethylpropane-1-sulfonyl fluoride
CID 115011968

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfonyl fluoride?
The IUPAC name of 2-methylpropane-2-sulfonyl fluoride (CID 118654439) is 2-methylpropane-2-sulfonyl fluoride.
What is the SMILES notation for 2-methylpropane-2-sulfonyl fluoride?
The canonical SMILES for 2-methylpropane-2-sulfonyl fluoride is CC(C)(C)S(=O)(=O)F.
What is the InChIKey of 2-methylpropane-2-sulfonyl fluoride?
The InChIKey is WXZXSOSICNWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-4(2,3)8(5,6)7/h1-3H3.
What are the key properties of 2-methylpropane-2-sulfonyl fluoride?
2-methylpropane-2-sulfonyl fluoride has a molecular weight of 140.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfonyl fluoride is sourced from PubChem (CID 118654439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).