4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H11F3N2O — CID 53417785

IUPAC4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNc1ccc(C2CNC(=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-7(15)1-2-8(9)6-3-10(17)16-5-6/h1-2,4,6H,3,5,15H2,(H,16,17)
InChIKeySLOLKZZCVRLLSE-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.89
Rot. Bonds1

About 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 53417785) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID53417785
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNc1ccc(C2CNC(=O)C2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-7(15)1-2-8(9)6-3-10(17)16-5-6/h1-2,4,6H,3,5,15H2,(H,16,17)
InChIKeySLOLKZZCVRLLSE-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
(4R)-4-[4-amino-2-(trifluoromethoxy)phenyl]piperidin-2-one
CID 124634542
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
CID 124634526
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
(4S)-4-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634477
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one
CID 124634493
4-(3-amino-5-methylphenyl)pyrrolidin-2-one
CID 167592266

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 53417785) is 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is Nc1ccc(C2CNC(=O)C2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is SLOLKZZCVRLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-4-7(15)1-2-8(9)6-3-10(17)16-5-6/h1-2,4,6H,3,5,15H2,(H,16,17).
What are the key properties of 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 53417785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).