1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one

C12H12F3NO — CID 175473820

IUPAC1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)C(F)F)CCN1c1ccccc1
InChIInChI=1S/C12H12F3NO/c13-10(11(14)15)9-6-7-16(12(9)17)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyHBQOITSDGIMOHI-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.64
Rot. Bonds3

About 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one

1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 175473820) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID175473820
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)C(F)F)CCN1c1ccccc1
InChIInChI=1S/C12H12F3NO/c13-10(11(14)15)9-6-7-16(12(9)17)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKeyHBQOITSDGIMOHI-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473804
3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]-1-phenylpyrrolidin-2-one
CID 129411928
[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]azanium chloride
CID 11806028
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
4-phenyl-4-azatricyclo[6.2.1.02,7]undec-9-en-3-one
CID 172820140
3-amino-1-phenylazepan-2-one
CID 59657864
4-(3-ethyl-2-oxopyrrolidin-1-yl)benzenesulfonyl chloride;3-ethyl-1-phenylpyrrolidin-2-one
CID 158057819
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
2-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 140978108
1-phenyl-3-(2-phenylpropylamino)pyrrolidin-2-one
CID 119127757

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one (CID 175473820) is 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(C(F)C(F)F)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is HBQOITSDGIMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-10(11(14)15)9-6-7-16(12(9)17)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2.
What are the key properties of 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 243.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 175473820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).