5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

C13H7F6NO — CID 58016522

IUPAC5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-1-4-10(5-2-8)20-7-9(13(17,18)19)3-6-11(20)21/h1-7H
InChIKeyWSIBAPHEKRZEIY-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.88
Rot. Bonds1

About 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one

5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 58016522) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID58016522
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)8-1-4-10(5-2-8)20-7-9(13(17,18)19)3-6-11(20)21/h1-7H
InChIKeyWSIBAPHEKRZEIY-UHFFFAOYSA-N
XLogP3.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 58016522) is 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1ccc(C(F)(F)F)cn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is WSIBAPHEKRZEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)8-1-4-10(5-2-8)20-7-9(13(17,18)19)3-6-11(20)21/h1-7H.
What are the key properties of 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one?
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 58016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).