lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride

C8H7ClF2LiNO2 — CID 174219263

IUPAClithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H6ClF2NO2.Li.H/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;;/h1-3H,12H2,(H,13,14);;/q;+1;-1
InChIKeyUTTDCVVZPMJMPP-UHFFFAOYSA-N
MW229.54 g/mol
LogP-0.78
Rot. Bonds2

About lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride

lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride (PubChem CID 174219263) has the molecular formula C8H7ClF2LiNO2 and a molecular weight of 229.54 g/mol. Its IUPAC name is lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride.

Molecular Properties

Compound Namelithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride
PubChem CID174219263
Molecular FormulaC8H7ClF2LiNO2
Molecular Weight229.54 g/mol
Exact Mass229.03
IUPAC Namelithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)O.[H-].[Li+]
InChIInChI=1S/C8H6ClF2NO2.Li.H/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;;/h1-3H,12H2,(H,13,14);;/q;+1;-1
InChIKeyUTTDCVVZPMJMPP-UHFFFAOYSA-N
XLogP-0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.54
LogP ≤ 5-0.78
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

2-[2-[2-Chloro-6-(trifluoromethyl)anilino]phenyl]acetic acid
CID 44451473
2-(5-Chloro-2-nitrophenyl)acetic acid
CID 597995
2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid
CID 90886806
Ethyl 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 101780191
2-(2-Amino-4-fluorophenyl)acetic acid
CID 356623
4-Amino-5-chloro-2-fluorophenylacetic Acid
CID 17858845
2-[(2-Fluoro-4-chlorophenyl)amino]phenylacetic acid
CID 18546364
3-(2-Amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 18972709
2-(2-Amino-5-fluorophenyl)acetic acid
CID 21915543
2-Amino-2-[2-amino-4-[chloro(difluoro)methyl]phenyl]-2-fluoroacetic acid
CID 53930451
2-(4-Amino-3-chloro-2-fluorophenyl)acetic acid
CID 68542713
Potassium 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetate
CID 70313619

Frequently Asked Questions

What is the IUPAC name of lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride?
The IUPAC name of lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride (CID 174219263) is lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride.
What is the SMILES notation for lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride?
The canonical SMILES for lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride is Nc1ccc(Cl)cc1C(F)(F)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride?
The InChIKey is UTTDCVVZPMJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2.Li.H/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14;;/h1-3H,12H2,(H,13,14);;/q;+1;-1.
What are the key properties of lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride?
lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride has a molecular weight of 229.54 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid;hydride is sourced from PubChem (CID 174219263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).