4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid

C11H10F2O4 — CID 10444483

IUPAC4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid
SMILESCOC(CC(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C11H10F2O4/c1-17-10(11(15)16)5-9(14)6-2-3-7(12)8(13)4-6/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyZWGPIGUWSNXNKX-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.64
Rot. Bonds5

About 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid

4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid (PubChem CID 10444483) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid
PubChem CID10444483
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid
SMILESCOC(CC(=O)c1ccc(F)c(F)c1)C(=O)O
InChIInChI=1S/C11H10F2O4/c1-17-10(11(15)16)5-9(14)6-2-3-7(12)8(13)4-6/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyZWGPIGUWSNXNKX-UHFFFAOYSA-N
XLogP1.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679
(3S)-5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
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(3S)-5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoate
CID 7154074
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808
4-(3,5-dichloro-4-methylphenyl)-2-methoxy-4-oxobutanoic acid
CID 13420313
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
3-[(3,4-difluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
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2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
1-(3,4-difluorophenyl)pentane-1,3-dione
CID 23234486
methyl 4-(3,5-difluorophenyl)-2-methoxy-4-oxobutanoate
CID 171935532

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid (CID 10444483) is 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid is COC(CC(=O)c1ccc(F)c(F)c1)C(=O)O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid?
The InChIKey is ZWGPIGUWSNXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-17-10(11(15)16)5-9(14)6-2-3-7(12)8(13)4-6/h2-4,10H,5H2,1H3,(H,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid?
4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid has a molecular weight of 244.19 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 10444483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).