2,3,5,6-tetrafluorophenolate

C6HF4O- — CID 14471938

IUPAC2,3,5,6-tetrafluorophenolate
SMILES[O-]c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H/p-1
InChIKeyPBYIIRLNRCVTMQ-UHFFFAOYSA-M
MW165.06 g/mol
LogP1.32
Rot. Bonds

About 2,3,5,6-tetrafluorophenolate

2,3,5,6-tetrafluorophenolate (PubChem CID 14471938) has the molecular formula C6HF4O- and a molecular weight of 165.06 g/mol. Its IUPAC name is 2,3,5,6-tetrafluorophenolate.

Molecular Properties

Compound Name2,3,5,6-tetrafluorophenolate
PubChem CID14471938
Molecular FormulaC6HF4O-
Molecular Weight165.06 g/mol
Exact Mass165.00
IUPAC Name2,3,5,6-tetrafluorophenolate
SMILES[O-]c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H/p-1
InChIKeyPBYIIRLNRCVTMQ-UHFFFAOYSA-M
XLogP1.32
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluorophenolate 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

Phenolate Sodium
CID 4445035
3,5-Difluorophenol
CID 75928
Hydron phenoxide
CID 20488062
2,6-Difluorophenol
CID 94392
3,4-Difluorophenol
CID 75927
3,4,5-Trifluorophenol
CID 2777943
2,5-Difluorophenol
CID 94952
2,3,5,6-Tetrafluorophenol
CID 69858
2,4-Difluorophenol
CID 123051
Potassium phenoxide
CID 23670670
2,3-Difluorophenol
CID 80879
2,4,6-Trifluorophenol
CID 519974

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluorophenolate?
The IUPAC name of 2,3,5,6-tetrafluorophenolate (CID 14471938) is 2,3,5,6-tetrafluorophenolate.
What is the SMILES notation for 2,3,5,6-tetrafluorophenolate?
The canonical SMILES for 2,3,5,6-tetrafluorophenolate is [O-]c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluorophenolate?
The InChIKey is PBYIIRLNRCVTMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H/p-1.
What are the key properties of 2,3,5,6-tetrafluorophenolate?
2,3,5,6-tetrafluorophenolate has a molecular weight of 165.06 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluorophenolate is sourced from PubChem (CID 14471938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).