sodium 2,3,4,5,6-pentafluorophenolate

C6F5NaO — CID 3394937

IUPACsodium 2,3,4,5,6-pentafluorophenolate
SMILES[Na+].[O-]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChIKeyGMKSUTIIASULKI-UHFFFAOYSA-M
MW206.04 g/mol
LogP-1.54
Rot. Bonds

About sodium 2,3,4,5,6-pentafluorophenolate

sodium 2,3,4,5,6-pentafluorophenolate (PubChem CID 3394937) has the molecular formula C6F5NaO and a molecular weight of 206.04 g/mol. Its IUPAC name is sodium 2,3,4,5,6-pentafluorophenolate.

Molecular Properties

Compound Namesodium 2,3,4,5,6-pentafluorophenolate
PubChem CID3394937
Molecular FormulaC6F5NaO
Molecular Weight206.04 g/mol
Exact Mass205.98
IUPAC Namesodium 2,3,4,5,6-pentafluorophenolate
SMILES[Na+].[O-]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChIKeyGMKSUTIIASULKI-UHFFFAOYSA-M
XLogP-1.54
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
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'}

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Related Compounds

Pentafluorophenol
CID 13041
2,3,4,5,6-Pentafluorophenyl sulfamate
CID 11021701
2,3,5,6-Tetrafluorohydroquinone
CID 69870
Pentafluorophenyl Trifluoromethanesulfonate
CID 10041425
Bis(perfluorophenyl) sulfite
CID 13341016
2,3,5,6-Tetrafluoro-4-iodophenol
CID 15064542
1,2,3,4,5-Pentafluoro-6-(trifluoromethoxy)benzene
CID 54122357
Phenol, 2,3,4,5,6-pentafluoro-, potassium salt (1:1)
CID 23663640
Pentafluorophen(ol-d)
CID 16212660
2,3,4,5,6-Pentafluorophenolate
CID 12167465
Pentafluorophenyl dichlorophosphate
CID 12489680
2,3,5,6-Tetrafluorophenolate
CID 14471938

Frequently Asked Questions

What is the IUPAC name of sodium 2,3,4,5,6-pentafluorophenolate?
The IUPAC name of sodium 2,3,4,5,6-pentafluorophenolate (CID 3394937) is sodium 2,3,4,5,6-pentafluorophenolate.
What is the SMILES notation for sodium 2,3,4,5,6-pentafluorophenolate?
The canonical SMILES for sodium 2,3,4,5,6-pentafluorophenolate is [Na+].[O-]c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of sodium 2,3,4,5,6-pentafluorophenolate?
The InChIKey is GMKSUTIIASULKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1.
What are the key properties of sodium 2,3,4,5,6-pentafluorophenolate?
sodium 2,3,4,5,6-pentafluorophenolate has a molecular weight of 206.04 g/mol, XLogP of -1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,4,5,6-pentafluorophenolate is sourced from PubChem (CID 3394937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).