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

C17H21F2NO2 — CID 153451404

IUPAC1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)c(C)c1
InChIInChI=1S/C17H21F2NO2/c1-4-22-13-6-7-14(12(3)9-13)15-8-5-11(2)17(21)20(15)10-16(18)19/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeySWQFHMPRRIVYIB-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.87
Rot. Bonds5

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

1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451404) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
PubChem CID153451404
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC Name1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
SMILESCCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)c(C)c1
InChIInChI=1S/C17H21F2NO2/c1-4-22-13-6-7-14(12(3)9-13)15-8-5-11(2)17(21)20(15)10-16(18)19/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeySWQFHMPRRIVYIB-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153450449
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153450917
3-bromo-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451057
3-chloro-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451558
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451135
1-(2,2-difluoroethyl)-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451508
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451001
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153451275
1-ethyl-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153450365
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451775

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one (CID 153451404) is 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one is CCOc1ccc(C2=CCC(C)C(=O)N2CC(F)F)c(C)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one?
The InChIKey is SWQFHMPRRIVYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO2/c1-4-22-13-6-7-14(12(3)9-13)15-8-5-11(2)17(21)20(15)10-16(18)19/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one?
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one has a molecular weight of 309.36 g/mol, XLogP of 3.87, 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-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).