6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol

C12H6F4O4 — CID 175418191

IUPAC6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol
SMILESOc1cc(O)c(O)c(-c2c(F)c(O)c(F)c(F)c2F)c1
InChIInChI=1S/C12H6F4O4/c13-7-6(8(14)12(20)10(16)9(7)15)4-1-3(17)2-5(18)11(4)19/h1-2,17-20H
InChIKeyFOSOBLBRZGTGLQ-UHFFFAOYSA-N
MW290.17 g/mol
LogP2.73
Rot. Bonds1

About 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol

6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol (PubChem CID 175418191) has the molecular formula C12H6F4O4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol
PubChem CID175418191
Molecular FormulaC12H6F4O4
Molecular Weight290.17 g/mol
Exact Mass290.02
IUPAC Name6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol
SMILESOc1cc(O)c(O)c(-c2c(F)c(O)c(F)c(F)c2F)c1
InChIInChI=1S/C12H6F4O4/c13-7-6(8(14)12(20)10(16)9(7)15)4-1-3(17)2-5(18)11(4)19/h1-2,17-20H
InChIKeyFOSOBLBRZGTGLQ-UHFFFAOYSA-N
XLogP2.73
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol 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 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol?
The IUPAC name of 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol (CID 175418191) is 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol?
The canonical SMILES for 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol is Oc1cc(O)c(O)c(-c2c(F)c(O)c(F)c(F)c2F)c1.
What is the InChIKey of 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol?
The InChIKey is FOSOBLBRZGTGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O4/c13-7-6(8(14)12(20)10(16)9(7)15)4-1-3(17)2-5(18)11(4)19/h1-2,17-20H.
What are the key properties of 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol?
6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol has a molecular weight of 290.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,6-tetrafluoro-5-hydroxyphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 175418191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).