[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C7H10ClF2NO3S — CID 168673630

IUPAC[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC(F)F
InChIInChI=1S/C7H10ClF2NO3S/c8-15(13,14)4-5-1-7(12)11(2-5)3-6(9)10/h5-6H,1-4H2
InChIKeyWKWLQCKIFBVAMV-UHFFFAOYSA-N
MW261.68 g/mol
LogP0.67
Rot. Bonds4

About [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673630) has the molecular formula C7H10ClF2NO3S and a molecular weight of 261.68 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673630
Molecular FormulaC7H10ClF2NO3S
Molecular Weight261.68 g/mol
Exact Mass261.00
IUPAC Name[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC(F)F
InChIInChI=1S/C7H10ClF2NO3S/c8-15(13,14)4-5-1-7(12)11(2-5)3-6(9)10/h5-6H,1-4H2
InChIKeyWKWLQCKIFBVAMV-UHFFFAOYSA-N
XLogP0.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-5-oxopyrrolidine-3-sulfonyl chloride
CID 121553054
1-[3-(Trifluoromethylsulfonyl)propyl]pyrrolidin-2-one
CID 140119574
[1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 83671411
2-[1-(2,2,2-Trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride
CID 83671412
(3S,4S)-1-acetyl-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide
CID 128371432
4-(Sulfanylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 168670853
1-(2,2-Difluoroethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670854
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672446
[1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673601
[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673629
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674664
[1-(3-Methylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675157

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673630) is [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is WKWLQCKIFBVAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO3S/c8-15(13,14)4-5-1-7(12)11(2-5)3-6(9)10/h5-6H,1-4H2.
What are the key properties of [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 261.68 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).