2-fluorobenzene-1,4-diol

C6H5FO2 — CID 581766

IUPAC2-fluorobenzene-1,4-diol
SMILESOc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKeyGIMXWZYFIFOCBJ-UHFFFAOYSA-N
MW128.10 g/mol
LogP1.24
Rot. Bonds

About 2-fluorobenzene-1,4-diol

2-fluorobenzene-1,4-diol (PubChem CID 581766) has the molecular formula C6H5FO2 and a molecular weight of 128.10 g/mol. Its IUPAC name is 2-fluorobenzene-1,4-diol.

Molecular Properties

Compound Name2-fluorobenzene-1,4-diol
PubChem CID581766
Molecular FormulaC6H5FO2
Molecular Weight128.10 g/mol
Exact Mass128.03
IUPAC Name2-fluorobenzene-1,4-diol
SMILESOc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKeyGIMXWZYFIFOCBJ-UHFFFAOYSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluorobenzene-1,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Catechol
CID 289
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278
3,5-Difluorophenol
CID 75928
3-Fluorophenol
CID 9743

Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-1,4-diol?
The IUPAC name of 2-fluorobenzene-1,4-diol (CID 581766) is 2-fluorobenzene-1,4-diol.
What is the SMILES notation for 2-fluorobenzene-1,4-diol?
The canonical SMILES for 2-fluorobenzene-1,4-diol is Oc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluorobenzene-1,4-diol?
The InChIKey is GIMXWZYFIFOCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H.
What are the key properties of 2-fluorobenzene-1,4-diol?
2-fluorobenzene-1,4-diol has a molecular weight of 128.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzene-1,4-diol is sourced from PubChem (CID 581766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).