2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C13H12Cl2F3NO — CID 107311355

IUPAC2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H12Cl2F3NO/c14-9-3-1-2-8(11(9)15)6-10(20)12(13(16,17)18)4-5-19-7-12/h1-3,19H,4-7H2
InChIKeyCMKXLHIPFDEGKR-UHFFFAOYSA-N
MW326.15 g/mol
LogP3.65
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 107311355) has the molecular formula C13H12Cl2F3NO and a molecular weight of 326.15 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID107311355
Molecular FormulaC13H12Cl2F3NO
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H12Cl2F3NO/c14-9-3-1-2-8(11(9)15)6-10(20)12(13(16,17)18)4-5-19-7-12/h1-3,19H,4-7H2
InChIKeyCMKXLHIPFDEGKR-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572808
2-(4-chloro-3-fluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 107890031
2-(2,4-difluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572905
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572792
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81375337
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710418
2-(3-bromo-5-fluorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572798
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
2-(1-butan-2-ylpyrazol-3-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572754
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 107311355) is 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is O=C(Cc1cccc(Cl)c1Cl)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is CMKXLHIPFDEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F3NO/c14-9-3-1-2-8(11(9)15)6-10(20)12(13(16,17)18)4-5-19-7-12/h1-3,19H,4-7H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 326.15 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 107311355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).