5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C14H12F3NO2 — CID 89476000

IUPAC5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1cn(-c2ccccc2)c(C(O)C(F)(F)F)cc1=O
InChIInChI=1S/C14H12F3NO2/c1-9-8-18(10-5-3-2-4-6-10)11(7-12(9)19)13(20)14(15,16)17/h2-8,13,20H,1H3
InChIKeyMDFILBUUCFFNHB-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.74
Rot. Bonds2

About 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 89476000) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID89476000
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1cn(-c2ccccc2)c(C(O)C(F)(F)F)cc1=O
InChIInChI=1S/C14H12F3NO2/c1-9-8-18(10-5-3-2-4-6-10)11(7-12(9)19)13(20)14(15,16)17/h2-8,13,20H,1H3
InChIKeyMDFILBUUCFFNHB-UHFFFAOYSA-N
XLogP2.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 89476000) is 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is Cc1cn(-c2ccccc2)c(C(O)C(F)(F)F)cc1=O.
What is the InChIKey of 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is MDFILBUUCFFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-8-18(10-5-3-2-4-6-10)11(7-12(9)19)13(20)14(15,16)17/h2-8,13,20H,1H3.
What are the key properties of 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 283.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 89476000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).