2,6-difluorophenolate

C6H3F2O- — CID 18433948

IUPAC2,6-difluorophenolate
SMILES[O-]c1c(F)cccc1F
InChIInChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H/p-1
InChIKeyCKKOVFGIBXCEIJ-UHFFFAOYSA-M
MW129.08 g/mol
LogP1.04
Rot. Bonds

About 2,6-difluorophenolate

2,6-difluorophenolate (PubChem CID 18433948) has the molecular formula C6H3F2O- and a molecular weight of 129.08 g/mol. Its IUPAC name is 2,6-difluorophenolate.

Molecular Properties

Compound Name2,6-difluorophenolate
PubChem CID18433948
Molecular FormulaC6H3F2O-
Molecular Weight129.08 g/mol
Exact Mass129.02
IUPAC Name2,6-difluorophenolate
SMILES[O-]c1c(F)cccc1F
InChIInChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H/p-1
InChIKeyCKKOVFGIBXCEIJ-UHFFFAOYSA-M
XLogP1.04
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-difluorophenolate 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 2,6-difluorophenolate?
The IUPAC name of 2,6-difluorophenolate (CID 18433948) is 2,6-difluorophenolate.
What is the SMILES notation for 2,6-difluorophenolate?
The canonical SMILES for 2,6-difluorophenolate is [O-]c1c(F)cccc1F.
What is the InChIKey of 2,6-difluorophenolate?
The InChIKey is CKKOVFGIBXCEIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H/p-1.
What are the key properties of 2,6-difluorophenolate?
2,6-difluorophenolate has a molecular weight of 129.08 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorophenolate is sourced from PubChem (CID 18433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).