1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one

C16H19F2NO2 — CID 153450449

IUPAC1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c1-3-21-13-7-5-12(6-8-13)14-9-4-11(2)16(20)19(14)10-15(17)18/h5-9,11,15H,3-4,10H2,1-2H3
InChIKeyKCDYAEFDUYYNIC-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one

1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one (PubChem CID 153450449) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
PubChem CID153450449
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c1-3-21-13-7-5-12(6-8-13)14-9-4-11(2)16(20)19(14)10-15(17)18/h5-9,11,15H,3-4,10H2,1-2H3
InChIKeyKCDYAEFDUYYNIC-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
1-ethyl-3-methyl-6-[4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153450541
1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
CID 153451379
3-bromo-6-(4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451323
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451135
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
CID 153450471
5-chloro-1-(2,2-difluoroethyl)-2-(4-ethoxyphenyl)-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162149494
3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451361
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153450917
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451001
3-bromo-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451057

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one (CID 153450449) is 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one is CCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The InChIKey is KCDYAEFDUYYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-3-21-13-7-5-12(6-8-13)14-9-4-11(2)16(20)19(14)10-15(17)18/h5-9,11,15H,3-4,10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one?
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one has a molecular weight of 295.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).