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

C13H14F3NO — CID 116583505

IUPAC2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCNC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(18)7-9-5-6-17-8-9/h1-4,9,17H,5-8H2
InChIKeyHSONYILKCDMCJB-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.89
Rot. Bonds3

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

2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 116583505) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID116583505
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CCNC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(18)7-9-5-6-17-8-9/h1-4,9,17H,5-8H2
InChIKeyHSONYILKCDMCJB-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]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

pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-cycloheptyl-N-[(3R)-pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 11631726
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
3-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070736
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone (CID 116583505) is 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone is O=C(CC1CCNC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is HSONYILKCDMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(18)7-9-5-6-17-8-9/h1-4,9,17H,5-8H2.
What are the key properties of 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone?
2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 257.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).