1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C15H15F3NO2Y- — CID 153451775

IUPAC1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCOc1ccc(C2=[C-]CCC(=O)N2CC(F)F)c(F)c1.[Y]
InChIInChI=1S/C15H15F3NO2.Y/c1-2-21-10-6-7-11(12(16)8-10)13-4-3-5-15(20)19(13)9-14(17)18;/h6-8,14H,2-3,5,9H2,1H3;/q-1;
InChIKeyTYGSZPVJLWYXEG-UHFFFAOYSA-N
MW387.19 g/mol
LogP3.25
Rot. Bonds5

About 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451775) has the molecular formula C15H15F3NO2Y- and a molecular weight of 387.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451775
Molecular FormulaC15H15F3NO2Y-
Molecular Weight387.19 g/mol
Exact Mass387.01
IUPAC Name1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCOc1ccc(C2=[C-]CCC(=O)N2CC(F)F)c(F)c1.[Y]
InChIInChI=1S/C15H15F3NO2.Y/c1-2-21-10-6-7-11(12(16)8-10)13-4-3-5-15(20)19(13)9-14(17)18;/h6-8,14H,2-3,5,9H2,1H3;/q-1;
InChIKeyTYGSZPVJLWYXEG-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloro-4-prop-2-enoxyphenyl)-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451693
6-(2-bromo-4-prop-2-enoxyphenyl)-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450986
2-[3-bromo-4-[1-(2,2-difluoroethyl)-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl]phenoxy]acetonitrile;yttrium
CID 153450818
1-(2,2-difluoroethyl)-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452049
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451935
6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450732
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
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
2-[4-(1-ethyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 153451370
6-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451951
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
3-chloro-6-[2-chloro-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451621

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451775) is 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCOc1ccc(C2=[C-]CCC(=O)N2CC(F)F)c(F)c1.[Y].
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is TYGSZPVJLWYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3NO2.Y/c1-2-21-10-6-7-11(12(16)8-10)13-4-3-5-15(20)19(13)9-14(17)18;/h6-8,14H,2-3,5,9H2,1H3;/q-1;.
What are the key properties of 1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 387.19 g/mol, XLogP of 3.25, 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-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).