(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride

C4H6ClF2NO2S — CID 165149898

IUPAC(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-1-3(6)4(7)2-8/h3-4H,1-2H2/t3-,4+
InChIKeyVINGCOJTCGHRHD-ZXZARUISSA-N
MW205.61 g/mol
LogP0.46
Rot. Bonds1

About (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride

(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride (PubChem CID 165149898) has the molecular formula C4H6ClF2NO2S and a molecular weight of 205.61 g/mol. Its IUPAC name is (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride
PubChem CID165149898
Molecular FormulaC4H6ClF2NO2S
Molecular Weight205.61 g/mol
Exact Mass204.98
IUPAC Name(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-1-3(6)4(7)2-8/h3-4H,1-2H2/t3-,4+
InChIKeyVINGCOJTCGHRHD-ZXZARUISSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride (CID 165149898) is (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1C[C@@H](F)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride?
The InChIKey is VINGCOJTCGHRHD-ZXZARUISSA-N. The full InChI is InChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-1-3(6)4(7)2-8/h3-4H,1-2H2/t3-,4+.
What are the key properties of (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride?
(3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride has a molecular weight of 205.61 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-difluoropyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 165149898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).