(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid

C10H6F2O4 — CID 56663321

IUPAC(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1c(F)cccc1F
InChIInChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-4,13H,(H,15,16)/b7-4-
InChIKeyASHPYVDNASDJMI-DAXSKMNVSA-N
MW228.15 g/mol
LogP1.52
Rot. Bonds3

About (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid

(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid (PubChem CID 56663321) has the molecular formula C10H6F2O4 and a molecular weight of 228.15 g/mol. Its IUPAC name is (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid
PubChem CID56663321
Molecular FormulaC10H6F2O4
Molecular Weight228.15 g/mol
Exact Mass228.02
IUPAC Name(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid
SMILESO=C(O)C(=O)/C=C(\O)c1c(F)cccc1F
InChIInChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-4,13H,(H,15,16)/b7-4-
InChIKeyASHPYVDNASDJMI-DAXSKMNVSA-N
XLogP1.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid?
The IUPAC name of (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid (CID 56663321) is (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid.
What is the SMILES notation for (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid?
The canonical SMILES for (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid is O=C(O)C(=O)/C=C(\O)c1c(F)cccc1F.
What is the InChIKey of (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid?
The InChIKey is ASHPYVDNASDJMI-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-4,13H,(H,15,16)/b7-4-.
What are the key properties of (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid?
(Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid has a molecular weight of 228.15 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,6-difluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid is sourced from PubChem (CID 56663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).