3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10F3NO — CID 105486245

IUPAC3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1NCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-15-10(8)16/h1-4,8H,5-6H2,(H,15,16)
InChIKeyDGLCQQQZEQRYRF-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.31
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 105486245) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID105486245
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1NCCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-15-10(8)16/h1-4,8H,5-6H2,(H,15,16)
InChIKeyDGLCQQQZEQRYRF-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
CID 94603909
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841203
2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
CID 155316157
2,2-diethyl-3-[2-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81415107
4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 155670658
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55062903
4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
CID 107290107
2-[2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
CID 115062579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 105486245) is 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1NCCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is DGLCQQQZEQRYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)9-4-2-1-3-7(9)8-5-6-15-10(8)16/h1-4,8H,5-6H2,(H,15,16).
What are the key properties of 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 105486245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).