1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one

C16H16F4INO3 — CID 153450451

IUPAC1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
SMILESCOCCOc1cc(F)c(C2=CCC(I)C(=O)N2CC(F)F)c(F)c1
InChIInChI=1S/C16H16F4INO3/c1-24-4-5-25-9-6-10(17)15(11(18)7-9)13-3-2-12(21)16(23)22(13)8-14(19)20/h3,6-7,12,14H,2,4-5,8H2,1H3
InChIKeyHNGLIVFIWFBMDV-UHFFFAOYSA-N
MW473.20 g/mol
LogP3.63
Rot. Bonds7

About 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one

1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one (PubChem CID 153450451) has the molecular formula C16H16F4INO3 and a molecular weight of 473.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
PubChem CID153450451
Molecular FormulaC16H16F4INO3
Molecular Weight473.20 g/mol
Exact Mass473.01
IUPAC Name1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
SMILESCOCCOc1cc(F)c(C2=CCC(I)C(=O)N2CC(F)F)c(F)c1
InChIInChI=1S/C16H16F4INO3/c1-24-4-5-25-9-6-10(17)15(11(18)7-9)13-3-2-12(21)16(23)22(13)8-14(19)20/h3,6-7,12,14H,2,4-5,8H2,1H3
InChIKeyHNGLIVFIWFBMDV-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451159
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450545
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450535
6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153450935
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
3-chloro-1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451650
1-(2,2-difluoroethyl)-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451508
3-chloro-1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-hydroxyphenyl)-3,4-dihydropyridin-2-one
CID 153452084
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451782
3-chloro-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-3,4-dihydropyridin-2-one
CID 153451355
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
CID 153450471

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one (CID 153450451) is 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one is COCCOc1cc(F)c(C2=CCC(I)C(=O)N2CC(F)F)c(F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one?
The InChIKey is HNGLIVFIWFBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4INO3/c1-24-4-5-25-9-6-10(17)15(11(18)7-9)13-3-2-12(21)16(23)22(13)8-14(19)20/h3,6-7,12,14H,2,4-5,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one?
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one has a molecular weight of 473.20 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).