2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

C15H14F3NO2 — CID 67282712

IUPAC2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(CC(F)(F)F)c(=O)c1OCc1ccccc1
InChIInChI=1S/C15H14F3NO2/c1-10-14(21-9-11-5-3-2-4-6-11)13(20)12(8-19-10)7-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyJXZKHZNLEYQMLB-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.37
Rot. Bonds4

About 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (PubChem CID 67282712) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
PubChem CID67282712
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(CC(F)(F)F)c(=O)c1OCc1ccccc1
InChIInChI=1S/C15H14F3NO2/c1-10-14(21-9-11-5-3-2-4-6-11)13(20)12(8-19-10)7-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyJXZKHZNLEYQMLB-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (CID 67282712) is 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is Cc1[nH]cc(CC(F)(F)F)c(=O)c1OCc1ccccc1.
What is the InChIKey of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The InChIKey is JXZKHZNLEYQMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10-14(21-9-11-5-3-2-4-6-11)13(20)12(8-19-10)7-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,19,20).
What are the key properties of 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one has a molecular weight of 297.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxy-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 67282712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).