[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride

C7H9ClF3NO3S — CID 168673629

IUPAC[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC(F)(F)F
InChIInChI=1S/C7H9ClF3NO3S/c8-16(14,15)3-5-1-6(13)12(2-5)4-7(9,10)11/h5H,1-4H2
InChIKeyCOYLAXCSKWBWLQ-UHFFFAOYSA-N
MW279.67 g/mol
LogP0.97
Rot. Bonds3

About [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673629) has the molecular formula C7H9ClF3NO3S and a molecular weight of 279.67 g/mol. Its IUPAC name is [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673629
Molecular FormulaC7H9ClF3NO3S
Molecular Weight279.67 g/mol
Exact Mass278.99
IUPAC Name[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC(F)(F)F
InChIInChI=1S/C7H9ClF3NO3S/c8-16(14,15)3-5-1-6(13)12(2-5)4-7(9,10)11/h5H,1-4H2
InChIKeyCOYLAXCSKWBWLQ-UHFFFAOYSA-N
XLogP0.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 50.97
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
[1-(2,2-Difluoroethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673630
[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 [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168673629) is [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CC(F)(F)F.
What is the InChIKey of [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is COYLAXCSKWBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3NO3S/c8-16(14,15)3-5-1-6(13)12(2-5)4-7(9,10)11/h5H,1-4H2.
What are the key properties of [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 279.67 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).