2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride

C8H11ClF3NO3S — CID 83671412

IUPAC2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride
SMILESO=C(N1CCC(CCS(=O)(=O)Cl)C1)C(F)(F)F
InChIInChI=1S/C8H11ClF3NO3S/c9-17(15,16)4-2-6-1-3-13(5-6)7(14)8(10,11)12/h6H,1-5H2
InChIKeyBNAZBKPKBUMLSI-UHFFFAOYSA-N
MW293.69 g/mol
LogP1.36
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride

2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride (PubChem CID 83671412) has the molecular formula C8H11ClF3NO3S and a molecular weight of 293.69 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride
PubChem CID83671412
Molecular FormulaC8H11ClF3NO3S
Molecular Weight293.69 g/mol
Exact Mass293.01
IUPAC Name2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride
SMILESO=C(N1CCC(CCS(=O)(=O)Cl)C1)C(F)(F)F
InChIInChI=1S/C8H11ClF3NO3S/c9-17(15,16)4-2-6-1-3-13(5-6)7(14)8(10,11)12/h6H,1-5H2
InChIKeyBNAZBKPKBUMLSI-UHFFFAOYSA-N
XLogP1.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride?
The IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride (CID 83671412) is 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride?
The canonical SMILES for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride is O=C(N1CCC(CCS(=O)(=O)Cl)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride?
The InChIKey is BNAZBKPKBUMLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3NO3S/c9-17(15,16)4-2-6-1-3-13(5-6)7(14)8(10,11)12/h6H,1-5H2.
What are the key properties of 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride?
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride has a molecular weight of 293.69 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]ethanesulfonyl chloride is sourced from PubChem (CID 83671412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).