lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride

C8H6Cl2F2LiNO2 — CID 174219273

IUPAClithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride
SMILESNc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H5Cl2F2NO2.Li.H/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;;/h1-2H,13H2,(H,14,15);;/q;+1;-1
InChIKeyFOIKXXCOTQLHCT-UHFFFAOYSA-N
MW263.98 g/mol
LogP-0.13
Rot. Bonds2

About lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride

lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride (PubChem CID 174219273) has the molecular formula C8H6Cl2F2LiNO2 and a molecular weight of 263.98 g/mol. Its IUPAC name is lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride.

Molecular Properties

Compound Namelithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride
PubChem CID174219273
Molecular FormulaC8H6Cl2F2LiNO2
Molecular Weight263.98 g/mol
Exact Mass262.99
IUPAC Namelithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride
SMILESNc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H5Cl2F2NO2.Li.H/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;;/h1-2H,13H2,(H,14,15);;/q;+1;-1
InChIKeyFOIKXXCOTQLHCT-UHFFFAOYSA-N
XLogP-0.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.98
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
1-(6-Amino-2,3-dichlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 70484861
Ethyl 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 140207181
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-chlorophenyl)-2,2-difluoroacetic acid
CID 166132500
2-(2-Amino-3,6-dichlorophenyl)-2,2-difluoroacetic acid
CID 166132510
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
2-(4-Amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;azane
CID 174219267

Frequently Asked Questions

What is the IUPAC name of lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride?
The IUPAC name of lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride (CID 174219273) is lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride.
What is the SMILES notation for lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride?
The canonical SMILES for lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride is Nc1ccc(Cl)c(Cl)c1C(F)(F)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride?
The InChIKey is FOIKXXCOTQLHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO2.Li.H/c9-3-1-2-4(13)5(6(3)10)8(11,12)7(14)15;;/h1-2H,13H2,(H,14,15);;/q;+1;-1.
What are the key properties of lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride?
lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride has a molecular weight of 263.98 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(6-amino-2,3-dichlorophenyl)-2,2-difluoroacetic acid;hydride is sourced from PubChem (CID 174219273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).