2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone

C12H12F3NO — CID 62727329

IUPAC2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-7-6-10(8-16)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyJZVQYMMALFLWOJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.56
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 62727329) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID62727329
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-7-6-10(8-16)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyJZVQYMMALFLWOJ-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
1-Propyl-3-(3-trifluoromethyl-phenyl)-pyrrolidine
CID 44460502
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
1-(Pyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethan-1-one
CID 9462870
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
1-Methyl-4-phenylpyrrolidin-2-one
CID 12448963
N-Trifluoroacetyldeoxyephedrine
CID 4601088
(4R)-1-methyl-4-phenylpyrrolidin-2-one
CID 89763096
(2E)-3-phenyl-1-(3-phenylpyrrolidin-1-yl)prop-2-en-1-one
CID 5729968
2-(2-Fluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119106334

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 62727329) is 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone is O=C(N1CCC(c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is JZVQYMMALFLWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-7-6-10(8-16)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 243.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62727329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).