3,3-difluoropyrrolidine-1-sulfonyl chloride

C4H6ClF2NO2S — CID 75530051

IUPAC3,3-difluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(F)(F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-2-1-4(6,7)3-8/h1-3H2
InChIKeyZRSSBSNLKROXSQ-UHFFFAOYSA-N
MW205.61 g/mol
LogP0.81
Rot. Bonds1

About 3,3-difluoropyrrolidine-1-sulfonyl chloride

3,3-difluoropyrrolidine-1-sulfonyl chloride (PubChem CID 75530051) has the molecular formula C4H6ClF2NO2S and a molecular weight of 205.61 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-sulfonyl chloride
PubChem CID75530051
Molecular FormulaC4H6ClF2NO2S
Molecular Weight205.61 g/mol
Exact Mass204.98
IUPAC Name3,3-difluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCC(F)(F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-2-1-4(6,7)3-8/h1-3H2
InChIKeyZRSSBSNLKROXSQ-UHFFFAOYSA-N
XLogP0.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3,3-difluoropyrrolidine-1-sulfonyl chloride (CID 75530051) is 3,3-difluoropyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluoropyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-sulfonyl chloride?
The InChIKey is ZRSSBSNLKROXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-2-1-4(6,7)3-8/h1-3H2.
What are the key properties of 3,3-difluoropyrrolidine-1-sulfonyl chloride?
3,3-difluoropyrrolidine-1-sulfonyl chloride has a molecular weight of 205.61 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 75530051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).