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

C12H11F4NO — CID 175473804

IUPAC1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)C(F)F)CCN1c1cccc(F)c1
InChIInChI=1S/C12H11F4NO/c13-7-2-1-3-8(6-7)17-5-4-9(12(17)18)10(14)11(15)16/h1-3,6,9-11H,4-5H2
InChIKeyIDOXNCUKQMPTTJ-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.78
Rot. Bonds3

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

1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 175473804) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID175473804
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(C(F)C(F)F)CCN1c1cccc(F)c1
InChIInChI=1S/C12H11F4NO/c13-7-2-1-3-8(6-7)17-5-4-9(12(17)18)10(14)11(15)16/h1-3,6,9-11H,4-5H2
InChIKeyIDOXNCUKQMPTTJ-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473820
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010511
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 2933748
(1R,2R,6S,7S,8S,10R)-4-(3-fluorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68542080
(3S)-1-(3-fluorophenyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)piperidin-2-one
CID 96550433
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
CID 59593460
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
(3S)-1-(3-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323615

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one (CID 175473804) is 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(C(F)C(F)F)CCN1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is IDOXNCUKQMPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c13-7-2-1-3-8(6-7)17-5-4-9(12(17)18)10(14)11(15)16/h1-3,6,9-11H,4-5H2.
What are the key properties of 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one?
1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 261.22 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 175473804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).