sodium 2,3,4,5-tetrafluorobenzoate

C7HF4NaO2 — CID 23675288

IUPACsodium 2,3,4,5-tetrafluorobenzoate
SMILESO=C([O-])c1cc(F)c(F)c(F)c1F.[Na+]
InChIInChI=1S/C7H2F4O2.Na/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;/h1H,(H,12,13);/q;+1/p-1
InChIKeyPVMKPXIEIWFYDX-UHFFFAOYSA-M
MW216.06 g/mol
LogP-2.39
Rot. Bonds1

About sodium 2,3,4,5-tetrafluorobenzoate

sodium 2,3,4,5-tetrafluorobenzoate (PubChem CID 23675288) has the molecular formula C7HF4NaO2 and a molecular weight of 216.06 g/mol. Its IUPAC name is sodium 2,3,4,5-tetrafluorobenzoate.

Molecular Properties

Compound Namesodium 2,3,4,5-tetrafluorobenzoate
PubChem CID23675288
Molecular FormulaC7HF4NaO2
Molecular Weight216.06 g/mol
Exact Mass215.98
IUPAC Namesodium 2,3,4,5-tetrafluorobenzoate
SMILESO=C([O-])c1cc(F)c(F)c(F)c1F.[Na+]
InChIInChI=1S/C7H2F4O2.Na/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;/h1H,(H,12,13);/q;+1/p-1
InChIKeyPVMKPXIEIWFYDX-UHFFFAOYSA-M
XLogP-2.39
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.06
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
sodium 2,4-dichloro-5-fluorobenzoate
CID 154641666
(Z)-3-methoxy-3-oxo-1-(2,3,4,5-tetrafluorophenyl)prop-1-en-1-olate
CID 164845157
sodium 6,7,8-trifluoro-4-oxochromene-3-carboxylate
CID 154878770
trimethylstannyl 2,3,4,5-tetrafluorobenzoate
CID 71422031
2,3,4,5-tetrafluorobenzoyl azide
CID 56933865
[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
CID 6347219
CID 102146515
CID 102146515
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
2,2,3,3,4,4,4-heptafluorobutanoate;bis((4-methoxyphenyl)-diphenylsulfanium);2,3,4,5-tetrafluorobenzoate
CID 159706129
diazanium;5-chloro-2,4-difluorobenzene-1,3-dicarboxylate
CID 139754124

Frequently Asked Questions

What is the IUPAC name of sodium 2,3,4,5-tetrafluorobenzoate?
The IUPAC name of sodium 2,3,4,5-tetrafluorobenzoate (CID 23675288) is sodium 2,3,4,5-tetrafluorobenzoate.
What is the SMILES notation for sodium 2,3,4,5-tetrafluorobenzoate?
The canonical SMILES for sodium 2,3,4,5-tetrafluorobenzoate is O=C([O-])c1cc(F)c(F)c(F)c1F.[Na+].
What is the InChIKey of sodium 2,3,4,5-tetrafluorobenzoate?
The InChIKey is PVMKPXIEIWFYDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H2F4O2.Na/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;/h1H,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2,3,4,5-tetrafluorobenzoate?
sodium 2,3,4,5-tetrafluorobenzoate has a molecular weight of 216.06 g/mol, XLogP of -2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,4,5-tetrafluorobenzoate is sourced from PubChem (CID 23675288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).