6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one

C17H16ClF2NO2 — CID 153450943

IUPAC6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
SMILESCC#CCOc1ccc(C2=CCCC(=O)N2CC(F)F)c(Cl)c1
InChIInChI=1S/C17H16ClF2NO2/c1-2-3-9-23-12-7-8-13(14(18)10-12)15-5-4-6-17(22)21(15)11-16(19)20/h5,7-8,10,16H,4,6,9,11H2,1H3
InChIKeyPMSVXGSRKDSSPR-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.97
Rot. Bonds5

About 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one

6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one (PubChem CID 153450943) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
PubChem CID153450943
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
SMILESCC#CCOc1ccc(C2=CCCC(=O)N2CC(F)F)c(Cl)c1
InChIInChI=1S/C17H16ClF2NO2/c1-2-3-9-23-12-7-8-13(14(18)10-12)15-5-4-6-17(22)21(15)11-16(19)20/h5,7-8,10,16H,4,6,9,11H2,1H3
InChIKeyPMSVXGSRKDSSPR-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450826
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451135
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451291
6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451217
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451949
6-(4-but-2-ynoxy-2-methylphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451589
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451782
3-bromo-6-(4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451323
2-[3-chloro-4-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl]phenoxy]acetonitrile;yttrium
CID 153451739
6-(2-chloro-4-prop-2-enoxyphenyl)-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451693
3-bromo-6-(2-bromo-4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one (CID 153450943) is 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one is CC#CCOc1ccc(C2=CCCC(=O)N2CC(F)F)c(Cl)c1.
What is the InChIKey of 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The InChIKey is PMSVXGSRKDSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c1-2-3-9-23-12-7-8-13(14(18)10-12)15-5-4-6-17(22)21(15)11-16(19)20/h5,7-8,10,16H,4,6,9,11H2,1H3.
What are the key properties of 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one has a molecular weight of 339.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).