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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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).