2-methylbutane-2-sulfonyl fluoride

C5H11FO2S — CID 22935896

IUPAC2-methylbutane-2-sulfonyl fluoride
SMILESCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3
InChIKeyBJTVXQKFKBFXMU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds2

About 2-methylbutane-2-sulfonyl fluoride

2-methylbutane-2-sulfonyl fluoride (PubChem CID 22935896) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methylbutane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylbutane-2-sulfonyl fluoride
PubChem CID22935896
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name2-methylbutane-2-sulfonyl fluoride
SMILESCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3
InChIKeyBJTVXQKFKBFXMU-UHFFFAOYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutane-1-sulfonyl fluoride
CID 22935853
3,3-Dimethylbutane-1-sulfonyl fluoride
CID 54593040
2-Methylpentane-2-sulfonyl fluoride
CID 22935845
2-Methylhexane-2-sulfonyl fluoride
CID 22935852
3-Methylbutane-1-sulfonyl fluoride
CID 87773919
2-Methylpropane-2-sulfonyl fluoride
CID 118654439
Fluoro 2-methylpropane-2-sulfonate
CID 140545367
(2R)-2-methylbutane-1-sulfonyl fluoride
CID 98124569
(2S)-2-methylbutane-1-sulfonyl fluoride
CID 98124570
3-Fluoro-2-methylbutane-2-sulfonyl chloride
CID 105443379
2,3-Dimethylbutane-1-sulfonyl fluoride
CID 115013427
2,2-Dimethylbutane-1-sulfonyl fluoride
CID 115013428

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-2-sulfonyl fluoride?
The IUPAC name of 2-methylbutane-2-sulfonyl fluoride (CID 22935896) is 2-methylbutane-2-sulfonyl fluoride.
What is the SMILES notation for 2-methylbutane-2-sulfonyl fluoride?
The canonical SMILES for 2-methylbutane-2-sulfonyl fluoride is CCC(C)(C)S(=O)(=O)F.
What is the InChIKey of 2-methylbutane-2-sulfonyl fluoride?
The InChIKey is BJTVXQKFKBFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3.
What are the key properties of 2-methylbutane-2-sulfonyl fluoride?
2-methylbutane-2-sulfonyl fluoride has a molecular weight of 154.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-2-sulfonyl fluoride is sourced from PubChem (CID 22935896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).