potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate

C8H5ClF2KNO2 — CID 70313619

IUPACpotassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)[O-].[K+]
InChIInChI=1S/C8H6ClF2NO2.K/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;/h1-3H,12H2,(H,13,14);/q;+1/p-1
InChIKeyDGLJSWQRLMSZCJ-UHFFFAOYSA-M
MW259.68 g/mol
LogP-2.23
Rot. Bonds2

About potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate

potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate (PubChem CID 70313619) has the molecular formula C8H5ClF2KNO2 and a molecular weight of 259.68 g/mol. Its IUPAC name is potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namepotassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
PubChem CID70313619
Molecular FormulaC8H5ClF2KNO2
Molecular Weight259.68 g/mol
Exact Mass258.96
IUPAC Namepotassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)[O-].[K+]
InChIInChI=1S/C8H6ClF2NO2.K/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;/h1-3H,12H2,(H,13,14);/q;+1/p-1
InChIKeyDGLJSWQRLMSZCJ-UHFFFAOYSA-M
XLogP-2.23
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate?
The IUPAC name of potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate (CID 70313619) is potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate is Nc1ccc(Cl)cc1C(F)(F)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate?
The InChIKey is DGLJSWQRLMSZCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6ClF2NO2.K/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;/h1-3H,12H2,(H,13,14);/q;+1/p-1.
What are the key properties of potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate?
potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate has a molecular weight of 259.68 g/mol, XLogP of -2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 70313619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).