5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one

C11H9F4NO — CID 145101919

IUPAC5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)C(c2ccccc2F)N1
InChIInChI=1S/C11H9F4NO/c12-8-4-2-1-3-6(8)10-7(11(13,14)15)5-9(17)16-10/h1-4,7,10H,5H2,(H,16,17)
InChIKeyHIACBPIABMQIIM-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.57
Rot. Bonds1

About 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one

5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 145101919) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one
PubChem CID145101919
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)C(c2ccccc2F)N1
InChIInChI=1S/C11H9F4NO/c12-8-4-2-1-3-6(8)10-7(11(13,14)15)5-9(17)16-10/h1-4,7,10H,5H2,(H,16,17)
InChIKeyHIACBPIABMQIIM-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one (CID 145101919) is 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one is O=C1CC(C(F)(F)F)C(c2ccccc2F)N1.
What is the InChIKey of 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is HIACBPIABMQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-8-4-2-1-3-6(8)10-7(11(13,14)15)5-9(17)16-10/h1-4,7,10H,5H2,(H,16,17).
What are the key properties of 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one?
5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 247.19 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 145101919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).