2,3,4,5-tetrafluorophenol

C6H2F4O — CID 15631663

IUPAC2,3,4,5-tetrafluorophenol
SMILESOc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKeyQXYLYYZZWZQACI-UHFFFAOYSA-N
MW166.07 g/mol
LogP1.95
Rot. Bonds

About 2,3,4,5-tetrafluorophenol

2,3,4,5-tetrafluorophenol (PubChem CID 15631663) has the molecular formula C6H2F4O and a molecular weight of 166.07 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorophenol.

Molecular Properties

Compound Name2,3,4,5-tetrafluorophenol
PubChem CID15631663
Molecular FormulaC6H2F4O
Molecular Weight166.07 g/mol
Exact Mass166.00
IUPAC Name2,3,4,5-tetrafluorophenol
SMILESOc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKeyQXYLYYZZWZQACI-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluorophenol 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 2,3,4,5-tetrafluorophenol?
The IUPAC name of 2,3,4,5-tetrafluorophenol (CID 15631663) is 2,3,4,5-tetrafluorophenol.
What is the SMILES notation for 2,3,4,5-tetrafluorophenol?
The canonical SMILES for 2,3,4,5-tetrafluorophenol is Oc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorophenol?
The InChIKey is QXYLYYZZWZQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H.
What are the key properties of 2,3,4,5-tetrafluorophenol?
2,3,4,5-tetrafluorophenol has a molecular weight of 166.07 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorophenol is sourced from PubChem (CID 15631663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).