2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid

C8H6ClF2NO2 — CID 70313620

IUPAC2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14/h1-3H,12H2,(H,13,14)
InChIKeyGJYFNZZBKPAREY-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid

2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid (PubChem CID 70313620) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid
PubChem CID70313620
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESNc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14/h1-3H,12H2,(H,13,14)
InChIKeyGJYFNZZBKPAREY-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.10
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-Aminophenylacetic acid
CID 583776
2-[2-[2-Chloro-6-(trifluoromethyl)anilino]phenyl]acetic acid
CID 44451473
2-(5-Chloro-2-nitrophenyl)acetic acid
CID 597995
2-(2-Amino-4-fluorophenyl)acetic acid
CID 356623
2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid
CID 90886806
Ethyl 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetate
CID 101780191
2-(4-Amino-3-chlorophenyl)butanoic acid
CID 67088002
Methyl (2-amino-4-chloro-5-fluorophenyl)acetate
CID 10900080
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid (CID 70313620) is 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid is Nc1ccc(Cl)cc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid?
The InChIKey is GJYFNZZBKPAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-4-1-2-6(12)5(3-4)8(10,11)7(13)14/h1-3H,12H2,(H,13,14).
What are the key properties of 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid?
2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid has a molecular weight of 221.59 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 70313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).