1-benzyl-5-(trifluoromethyl)pyridin-2-one

C13H10F3NO — CID 57398350

IUPAC1-benzyl-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccccc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyVROJCTCWSMQLSE-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.92
Rot. Bonds2

About 1-benzyl-5-(trifluoromethyl)pyridin-2-one

1-benzyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 57398350) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-benzyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID57398350
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-benzyl-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccccc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyVROJCTCWSMQLSE-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(trifluoromethyl)pyridin-2-one (CID 57398350) is 1-benzyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is VROJCTCWSMQLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-benzyl-5-(trifluoromethyl)pyridin-2-one?
1-benzyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 57398350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).