[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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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).