1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one

C18H21F2NO3 — CID 161221111

IUPAC1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(C)c(=O)n2CC(F)F)c(C)c1
InChIInChI=1S/C18H21F2NO3/c1-12-4-7-16(21(18(12)22)11-17(19)20)15-6-5-14(10-13(15)2)24-9-8-23-3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyIZRXDWXOJQYTKL-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.42
Rot. Bonds7

About 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one

1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one (PubChem CID 161221111) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
PubChem CID161221111
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(C)c(=O)n2CC(F)F)c(C)c1
InChIInChI=1S/C18H21F2NO3/c1-12-4-7-16(21(18(12)22)11-17(19)20)15-6-5-14(10-13(15)2)24-9-8-23-3/h4-7,10,17H,8-9,11H2,1-3H3
InChIKeyIZRXDWXOJQYTKL-UHFFFAOYSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one (CID 161221111) is 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one is COCCOc1ccc(-c2ccc(C)c(=O)n2CC(F)F)c(C)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one?
The InChIKey is IZRXDWXOJQYTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-12-4-7-16(21(18(12)22)11-17(19)20)15-6-5-14(10-13(15)2)24-9-8-23-3/h4-7,10,17H,8-9,11H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one?
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one has a molecular weight of 337.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one is sourced from PubChem (CID 161221111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).