1-fluoro-2-methylpropane-1-sulfonyl chloride

C4H8ClFO2S — CID 84655075

IUPAC1-fluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)C(F)S(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-3(2)4(6)9(5,7)8/h3-4H,1-2H3
InChIKeyJHILOAULASLULV-UHFFFAOYSA-N
MW174.62 g/mol
LogP1.51
Rot. Bonds2

About 1-fluoro-2-methylpropane-1-sulfonyl chloride

1-fluoro-2-methylpropane-1-sulfonyl chloride (PubChem CID 84655075) has the molecular formula C4H8ClFO2S and a molecular weight of 174.62 g/mol. Its IUPAC name is 1-fluoro-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-fluoro-2-methylpropane-1-sulfonyl chloride
PubChem CID84655075
Molecular FormulaC4H8ClFO2S
Molecular Weight174.62 g/mol
Exact Mass173.99
IUPAC Name1-fluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(C)C(F)S(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-3(2)4(6)9(5,7)8/h3-4H,1-2H3
InChIKeyJHILOAULASLULV-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.62
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propanesulfonyl chloride, 2-methyl-
CID 182236
Butanesulfonyl chloride, 4-fluoro-
CID 9739
2,2-Dimethylpropane-1-sulfonyl chloride
CID 12574632
3-Methylbutane-1-sulfonyl chloride
CID 12933327
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
2-Methylpropane-1-sulfonyl fluoride
CID 56604709
3,3,3-Trifluoro-2-methylpropane-1-sulfonyl chloride
CID 84723207
2-Fluoro-2-methylpropane-1-sulfonyl chloride
CID 126688674

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 1-fluoro-2-methylpropane-1-sulfonyl chloride (CID 84655075) is 1-fluoro-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 1-fluoro-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 1-fluoro-2-methylpropane-1-sulfonyl chloride is CC(C)C(F)S(=O)(=O)Cl.
What is the InChIKey of 1-fluoro-2-methylpropane-1-sulfonyl chloride?
The InChIKey is JHILOAULASLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClFO2S/c1-3(2)4(6)9(5,7)8/h3-4H,1-2H3.
What are the key properties of 1-fluoro-2-methylpropane-1-sulfonyl chloride?
1-fluoro-2-methylpropane-1-sulfonyl chloride has a molecular weight of 174.62 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84655075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).