2,4,5-trifluorobenzene-1,3-diol

C6H3F3O2 — CID 10725692

IUPAC2,4,5-trifluorobenzene-1,3-diol
SMILESOc1cc(F)c(F)c(O)c1F
InChIInChI=1S/C6H3F3O2/c7-2-1-3(10)5(9)6(11)4(2)8/h1,10-11H
InChIKeyULPUUNVDJJXSRH-UHFFFAOYSA-N
MW164.08 g/mol
LogP1.52
Rot. Bonds

About 2,4,5-trifluorobenzene-1,3-diol

2,4,5-trifluorobenzene-1,3-diol (PubChem CID 10725692) has the molecular formula C6H3F3O2 and a molecular weight of 164.08 g/mol. Its IUPAC name is 2,4,5-trifluorobenzene-1,3-diol.

Molecular Properties

Compound Name2,4,5-trifluorobenzene-1,3-diol
PubChem CID10725692
Molecular FormulaC6H3F3O2
Molecular Weight164.08 g/mol
Exact Mass164.01
IUPAC Name2,4,5-trifluorobenzene-1,3-diol
SMILESOc1cc(F)c(F)c(O)c1F
InChIInChI=1S/C6H3F3O2/c7-2-1-3(10)5(9)6(11)4(2)8/h1,10-11H
InChIKeyULPUUNVDJJXSRH-UHFFFAOYSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trifluorobenzene-1,3-diol 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 2,4,5-trifluorobenzene-1,3-diol?
The IUPAC name of 2,4,5-trifluorobenzene-1,3-diol (CID 10725692) is 2,4,5-trifluorobenzene-1,3-diol.
What is the SMILES notation for 2,4,5-trifluorobenzene-1,3-diol?
The canonical SMILES for 2,4,5-trifluorobenzene-1,3-diol is Oc1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluorobenzene-1,3-diol?
The InChIKey is ULPUUNVDJJXSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O2/c7-2-1-3(10)5(9)6(11)4(2)8/h1,10-11H.
What are the key properties of 2,4,5-trifluorobenzene-1,3-diol?
2,4,5-trifluorobenzene-1,3-diol has a molecular weight of 164.08 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluorobenzene-1,3-diol is sourced from PubChem (CID 10725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).