4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid

C11H10F2O5 — CID 171878026

IUPAC4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
SMILESO=Cc1cc(F)c(C(O)C(O)CC(=O)O)cc1F
InChIInChI=1S/C11H10F2O5/c12-7-2-6(8(13)1-5(7)4-14)11(18)9(15)3-10(16)17/h1-2,4,9,11,15,18H,3H2,(H,16,17)
InChIKeyHFXSVIVQGWOSOS-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.65
Rot. Bonds5

About 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid

4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171878026) has the molecular formula C11H10F2O5 and a molecular weight of 260.19 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171878026
Molecular FormulaC11H10F2O5
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Name4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
SMILESO=Cc1cc(F)c(C(O)C(O)CC(=O)O)cc1F
InChIInChI=1S/C11H10F2O5/c12-7-2-6(8(13)1-5(7)4-14)11(18)9(15)3-10(16)17/h1-2,4,9,11,15,18H,3H2,(H,16,17)
InChIKeyHFXSVIVQGWOSOS-UHFFFAOYSA-N
XLogP0.65
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-1,2-dihydroxybutyl)-2,5-difluorobenzaldehyde
CID 171881608
4-(3,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878028
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877603
4-(2-formyl-5-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877602
4-(2-cyano-4,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878097
4-(2-formyl-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877964
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877631
4-(5-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877541
4-(3,5-diformylphenyl)-3,4-dihydroxybutanoic acid
CID 171877975
4-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878788

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid (CID 171878026) is 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid is O=Cc1cc(F)c(C(O)C(O)CC(=O)O)cc1F.
What is the InChIKey of 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is HFXSVIVQGWOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O5/c12-7-2-6(8(13)1-5(7)4-14)11(18)9(15)3-10(16)17/h1-2,4,9,11,15,18H,3H2,(H,16,17).
What are the key properties of 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid?
4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 260.19 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).