lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate

C8H4Cl2F2LiNO2 — CID 174228254

IUPAClithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate
SMILESNc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)[O-].[Li+]
InChIInChI=1S/C8H5Cl2F2NO2.Li/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);/q;+1/p-1
InChIKeyRQFKUBZTKICMSU-UHFFFAOYSA-M
MW261.97 g/mol
LogP-1.58
Rot. Bonds2

About lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate

lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate (PubChem CID 174228254) has the molecular formula C8H4Cl2F2LiNO2 and a molecular weight of 261.97 g/mol. Its IUPAC name is lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Namelithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate
PubChem CID174228254
Molecular FormulaC8H4Cl2F2LiNO2
Molecular Weight261.97 g/mol
Exact Mass260.97
IUPAC Namelithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate
SMILESNc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)[O-].[Li+]
InChIInChI=1S/C8H5Cl2F2NO2.Li/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);/q;+1/p-1
InChIKeyRQFKUBZTKICMSU-UHFFFAOYSA-M
XLogP-1.58
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.97
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 70313619
Ethyl 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 140207181
Ethyl 2-(6-amino-2-chloro-3-fluorophenyl)-2,2-difluoroacetate
CID 140207209
Ethyl 2-(6-amino-3-chloro-2-methylphenyl)-2,2-difluoroacetate
CID 140207210
Ethyl 2-(2-amino-6-chlorophenyl)-2,2-difluoroacetate
CID 140207220
[3-[Carboxy(difluoro)methyl]-4,5-dichlorophenyl]azanium
CID 166132486
2-(5-Amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid
CID 166132487
2-(2-Amino-3,6-dichlorophenyl)-2,2-difluoroacetic acid
CID 166132510
Ethyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
CID 166132511
Methyl 2-(2-amino-3,6-dichlorophenyl)-2,2-difluoroacetate
CID 166132527
2-(2-Amino-3,5,6-trichlorophenyl)-2,2-difluoroacetic acid
CID 166132529
Lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride
CID 174219263

Frequently Asked Questions

What is the IUPAC name of lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate?
The IUPAC name of lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate (CID 174228254) is lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate.
What is the SMILES notation for lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate?
The canonical SMILES for lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate is Nc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate?
The InChIKey is RQFKUBZTKICMSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5Cl2F2NO2.Li/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate?
lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate has a molecular weight of 261.97 g/mol, XLogP of -1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetate is sourced from PubChem (CID 174228254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).