3,3-difluorobutane-1-sulfonyl chloride

C4H7ClF2O2S — CID 84664403

IUPAC3,3-difluorobutane-1-sulfonyl chloride
SMILESCC(F)(F)CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClF2O2S/c1-4(6,7)2-3-10(5,8)9/h2-3H2,1H3
InChIKeyXMDQSHBKYXDIOI-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.60
Rot. Bonds3

About 3,3-difluorobutane-1-sulfonyl chloride

3,3-difluorobutane-1-sulfonyl chloride (PubChem CID 84664403) has the molecular formula C4H7ClF2O2S and a molecular weight of 192.61 g/mol. Its IUPAC name is 3,3-difluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluorobutane-1-sulfonyl chloride
PubChem CID84664403
Molecular FormulaC4H7ClF2O2S
Molecular Weight192.61 g/mol
Exact Mass191.98
IUPAC Name3,3-difluorobutane-1-sulfonyl chloride
SMILESCC(F)(F)CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClF2O2S/c1-4(6,7)2-3-10(5,8)9/h2-3H2,1H3
InChIKeyXMDQSHBKYXDIOI-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
3,3-Difluorocyclopentane-1-sulfonyl chloride
CID 53417174
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
3,3,3-Trifluoro-2-methylpropane-1-sulfonyl chloride
CID 84723207

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobutane-1-sulfonyl chloride?
The IUPAC name of 3,3-difluorobutane-1-sulfonyl chloride (CID 84664403) is 3,3-difluorobutane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluorobutane-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluorobutane-1-sulfonyl chloride is CC(F)(F)CCS(=O)(=O)Cl.
What is the InChIKey of 3,3-difluorobutane-1-sulfonyl chloride?
The InChIKey is XMDQSHBKYXDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF2O2S/c1-4(6,7)2-3-10(5,8)9/h2-3H2,1H3.
What are the key properties of 3,3-difluorobutane-1-sulfonyl chloride?
3,3-difluorobutane-1-sulfonyl chloride has a molecular weight of 192.61 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 84664403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).