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

C4H8ClFO2S — CID 84655076

IUPAC3-fluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(CF)CS(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-4(2-6)3-9(5,7)8/h4H,2-3H2,1H3
InChIKeyYVTLCNJXSGKEQF-UHFFFAOYSA-N
MW174.62 g/mol
LogP1.16
Rot. Bonds3

About 3-fluoro-2-methylpropane-1-sulfonyl chloride

3-fluoro-2-methylpropane-1-sulfonyl chloride (PubChem CID 84655076) has the molecular formula C4H8ClFO2S and a molecular weight of 174.62 g/mol. Its IUPAC name is 3-fluoro-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methylpropane-1-sulfonyl chloride
PubChem CID84655076
Molecular FormulaC4H8ClFO2S
Molecular Weight174.62 g/mol
Exact Mass173.99
IUPAC Name3-fluoro-2-methylpropane-1-sulfonyl chloride
SMILESCC(CF)CS(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-4(2-6)3-9(5,7)8/h4H,2-3H2,1H3
InChIKeyYVTLCNJXSGKEQF-UHFFFAOYSA-N
XLogP1.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.62
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-fluoro-2-methylpropane-1-sulfonyl chloride (CID 84655076) is 3-fluoro-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methylpropane-1-sulfonyl chloride is CC(CF)CS(=O)(=O)Cl.
What is the InChIKey of 3-fluoro-2-methylpropane-1-sulfonyl chloride?
The InChIKey is YVTLCNJXSGKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClFO2S/c1-4(2-6)3-9(5,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-fluoro-2-methylpropane-1-sulfonyl chloride?
3-fluoro-2-methylpropane-1-sulfonyl chloride has a molecular weight of 174.62 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 84655076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).