fluoro 2-methylpropane-1-sulfonate

C4H9FO3S — CID 140545366

IUPACfluoro 2-methylpropane-1-sulfonate
SMILESCC(C)CS(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-4(2)3-9(6,7)8-5/h4H,3H2,1-2H3
InChIKeyPQHCMKDTMXZIBC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.87
Rot. Bonds3

About fluoro 2-methylpropane-1-sulfonate

fluoro 2-methylpropane-1-sulfonate (PubChem CID 140545366) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is fluoro 2-methylpropane-1-sulfonate.

Molecular Properties

Compound Namefluoro 2-methylpropane-1-sulfonate
PubChem CID140545366
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Namefluoro 2-methylpropane-1-sulfonate
SMILESCC(C)CS(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-4(2)3-9(6,7)8-5/h4H,3H2,1-2H3
InChIKeyPQHCMKDTMXZIBC-UHFFFAOYSA-N
XLogP0.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butane-1-sulfonate
CID 3704751
1-Butanesulfonyl fluoride
CID 12615
1-Propanesulfonyl chloride, 2-methyl-
CID 182236
3-Methyl-1-butanesulfonic acid
CID 406989
2-Methylpropane-1-sulfonamide
CID 10197726
3-Methylbutane-1-sulfonyl chloride
CID 12933327
Sodium 2-methylpropane-1-sulfinate
CID 20589140
1-Propanesulfonic acid, 2-methyl-, 2-[[1-oxo-3-[(gamma-omega-perfluoro-C4-16-alkyl)thio]propyl]amino] derivs., sodium salts
CID 23684913
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
2-Methylbutane-1-sulfonyl fluoride
CID 22935853
2,3-Dimethylbutane-1-sulfonyl chloride
CID 24975118

Frequently Asked Questions

What is the IUPAC name of fluoro 2-methylpropane-1-sulfonate?
The IUPAC name of fluoro 2-methylpropane-1-sulfonate (CID 140545366) is fluoro 2-methylpropane-1-sulfonate.
What is the SMILES notation for fluoro 2-methylpropane-1-sulfonate?
The canonical SMILES for fluoro 2-methylpropane-1-sulfonate is CC(C)CS(=O)(=O)OF.
What is the InChIKey of fluoro 2-methylpropane-1-sulfonate?
The InChIKey is PQHCMKDTMXZIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-4(2)3-9(6,7)8-5/h4H,3H2,1-2H3.
What are the key properties of fluoro 2-methylpropane-1-sulfonate?
fluoro 2-methylpropane-1-sulfonate has a molecular weight of 156.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylpropane-1-sulfonate is sourced from PubChem (CID 140545366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).