1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one

C15H15F2NO2 — CID 70805217

IUPAC1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CC(F)F
InChIInChI=1S/C15H15F2NO2/c1-11-15(20-10-12-5-3-2-4-6-12)13(19)7-8-18(11)9-14(16)17/h2-8,14H,9-10H2,1H3
InChIKeyRKNZJHATXAIBGU-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one

1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 70805217) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID70805217
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CC(F)F
InChIInChI=1S/C15H15F2NO2/c1-11-15(20-10-12-5-3-2-4-6-12)13(19)7-8-18(11)9-14(16)17/h2-8,14H,9-10H2,1H3
InChIKeyRKNZJHATXAIBGU-UHFFFAOYSA-N
XLogP3.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one (CID 70805217) is 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is RKNZJHATXAIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-11-15(20-10-12-5-3-2-4-6-12)13(19)7-8-18(11)9-14(16)17/h2-8,14H,9-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one?
1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 279.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 70805217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).