1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone

C13H12F3NO2 — CID 5306473

IUPAC1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)12(19)17-8-4-7-10(17)11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyKCYAKUNXGJHKNG-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone

1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 5306473) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID5306473
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)12(19)17-8-4-7-10(17)11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyKCYAKUNXGJHKNG-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride (1:1)
CID 14372
alpha-Pyrrolidinononanophenone
CID 69247748
alpha-PHP
CID 102107923
1-(2-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311147
4'-Fluoro-alpha-pyrrolidinopentiophenone
CID 11322641
Alpha-Pyrrolidinopropiophenone
CID 209045
2-(Pyrrolidin-1-yl)-1-(p-tolyl)hexan-1-one
CID 6423085
Alpha-Pyrrolidinobutiophenone
CID 23199082
4-Methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one
CID 59809191
1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one
CID 69245534

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone (CID 5306473) is 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone is O=C(c1ccccc1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is KCYAKUNXGJHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)12(19)17-8-4-7-10(17)11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone?
1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 271.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylpyrrolidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 5306473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).