3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one

C14H8ClF6NO — CID 12879375

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one
SMILESCn1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6NO/c1-22-5-8(12(23)10(6-22)14(19,20)21)7-2-3-11(15)9(4-7)13(16,17)18/h2-6H,1H3
InChIKeyGVLRDLFVGZMEOM-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.74
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one

3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one (PubChem CID 12879375) has the molecular formula C14H8ClF6NO and a molecular weight of 355.67 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one
PubChem CID12879375
Molecular FormulaC14H8ClF6NO
Molecular Weight355.67 g/mol
Exact Mass355.02
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one
SMILESCn1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6NO/c1-22-5-8(12(23)10(6-22)14(19,20)21)7-2-3-11(15)9(4-7)13(16,17)18/h2-6H,1H3
InChIKeyGVLRDLFVGZMEOM-UHFFFAOYSA-N
XLogP4.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one (CID 12879375) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one is Cn1cc(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one?
The InChIKey is GVLRDLFVGZMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO/c1-22-5-8(12(23)10(6-22)14(19,20)21)7-2-3-11(15)9(4-7)13(16,17)18/h2-6H,1H3.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one?
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one has a molecular weight of 355.67 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one is sourced from PubChem (CID 12879375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).