1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one

C15H14F3NO2 — CID 58051535

IUPAC1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Oc1ccc(-n2ccc(C(F)(F)F)cc2=O)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(2)21-13-5-3-12(4-6-13)19-8-7-11(9-14(19)20)15(16,17)18/h3-10H,1-2H3
InChIKeyPEMHOGQVMHYHST-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.64
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one

1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 58051535) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID58051535
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Oc1ccc(-n2ccc(C(F)(F)F)cc2=O)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(2)21-13-5-3-12(4-6-13)19-8-7-11(9-14(19)20)15(16,17)18/h3-10H,1-2H3
InChIKeyPEMHOGQVMHYHST-UHFFFAOYSA-N
XLogP3.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one (CID 58051535) is 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one is CC(C)Oc1ccc(-n2ccc(C(F)(F)F)cc2=O)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is PEMHOGQVMHYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10(2)21-13-5-3-12(4-6-13)19-8-7-11(9-14(19)20)15(16,17)18/h3-10H,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 297.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 58051535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).