(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride

C5H8ClF2NO3S — CID 165149945

IUPAC(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C5H8ClF2NO3S/c6-13(10,11)9-2-1-4(3-9)12-5(7)8/h4-5H,1-3H2/t4-/m1/s1
InChIKeyOVTKYWUVCSMYKZ-SCSAIBSYSA-N
MW235.64 g/mol
LogP0.78
Rot. Bonds3

About (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride

(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride (PubChem CID 165149945) has the molecular formula C5H8ClF2NO3S and a molecular weight of 235.64 g/mol. Its IUPAC name is (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride
PubChem CID165149945
Molecular FormulaC5H8ClF2NO3S
Molecular Weight235.64 g/mol
Exact Mass234.99
IUPAC Name(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC[C@@H](OC(F)F)C1
InChIInChI=1S/C5H8ClF2NO3S/c6-13(10,11)9-2-1-4(3-9)12-5(7)8/h4-5H,1-3H2/t4-/m1/s1
InChIKeyOVTKYWUVCSMYKZ-SCSAIBSYSA-N
XLogP0.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyrrolidine-1-sulfonyl chloride
CID 103532002
3-(Difluoromethoxy)pyrrolidine-1-sulfonamide
CID 130675401
Rel-(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 165149901
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-sulfonamide
CID 167049009
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
C5H7ClF3NO3S
CID 117588063
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
CID 130891111
3-Methoxypyrrolidine-1-sulfonyl fluoride
CID 135564416
3-Methoxy-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 165870348
Rel-(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 172908008

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride (CID 165149945) is (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CC[C@@H](OC(F)F)C1.
What is the InChIKey of (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride?
The InChIKey is OVTKYWUVCSMYKZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8ClF2NO3S/c6-13(10,11)9-2-1-4(3-9)12-5(7)8/h4-5H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride?
(3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride has a molecular weight of 235.64 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethoxy)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 165149945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).