sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate

C8H5ClFNaO4 — CID 56840544

IUPACsodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
SMILESO=C([O-])C(O)c1cc(Cl)c(O)cc1F.[Na+]
InChIInChI=1S/C8H6ClFO4.Na/c9-4-1-3(7(12)8(13)14)5(10)2-6(4)11;/h1-2,7,11-12H,(H,13,14);/q;+1/p-1
InChIKeyAKUCVOZDPNPJOM-UHFFFAOYSA-M
MW242.56 g/mol
LogP-3.03
Rot. Bonds2

About sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate

sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 56840544) has the molecular formula C8H5ClFNaO4 and a molecular weight of 242.56 g/mol. Its IUPAC name is sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namesodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
PubChem CID56840544
Molecular FormulaC8H5ClFNaO4
Molecular Weight242.56 g/mol
Exact Mass241.98
IUPAC Namesodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
SMILESO=C([O-])C(O)c1cc(Cl)c(O)cc1F.[Na+]
InChIInChI=1S/C8H6ClFO4.Na/c9-4-1-3(7(12)8(13)14)5(10)2-6(4)11;/h1-2,7,11-12H,(H,13,14);/q;+1/p-1
InChIKeyAKUCVOZDPNPJOM-UHFFFAOYSA-M
XLogP-3.03
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
(2R)-2-hydroxy-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 7171735
2,5-dichloro-4-fluorophenol
CID 3535760
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
CID 163848524
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258

Frequently Asked Questions

What is the IUPAC name of sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate (CID 56840544) is sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate is O=C([O-])C(O)c1cc(Cl)c(O)cc1F.[Na+].
What is the InChIKey of sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is AKUCVOZDPNPJOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6ClFO4.Na/c9-4-1-3(7(12)8(13)14)5(10)2-6(4)11;/h1-2,7,11-12H,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate?
sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 242.56 g/mol, XLogP of -3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 56840544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).