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

C8H6ClF2NO2 — CID 166132537

IUPAC2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid
SMILESNc1ccc(Cl)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C8H6ClF2NO2/c9-6-2-1-4(12)3-5(6)8(10,11)7(13)14/h1-3H,12H2,(H,13,14)
InChIKeyNLFCLLXQGNNTJN-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.10
Rot. Bonds2

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

2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid (PubChem CID 166132537) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid
PubChem CID166132537
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid
SMILESNc1ccc(Cl)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C8H6ClF2NO2/c9-6-2-1-4(12)3-5(6)8(10,11)7(13)14/h1-3H,12H2,(H,13,14)
InChIKeyNLFCLLXQGNNTJN-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

3-Biphenylacetic acid, 5-amino-4'-chloro-
CID 53374
2-(3-Aminophenyl)acetic acid hydrochloride
CID 45263726
(3-Aminophenyl)acetic acid
CID 571807
5-Amino-2-fluorophenylacetic acid
CID 2737688
2-(3-Amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
CID 20792224
2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}acetic Acid
CID 22475348
2-(4-Chloro-3-nitrophenyl)-2,2-difluoroacetic acid
CID 23125473
2-(3-Amino-4-fluorophenyl)acetic acid
CID 23125597
2-(2-Chloro-4-fluoro-5-nitrophenyl)propanoic acid
CID 54017975
2-(5-Amino-2-chloro-4-fluorophenyl)propanoic acid
CID 54243036
Methyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
CID 57179795

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid (CID 166132537) is 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid is Nc1ccc(Cl)c(C(F)(F)C(=O)O)c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid?
The InChIKey is NLFCLLXQGNNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-6-2-1-4(12)3-5(6)8(10,11)7(13)14/h1-3H,12H2,(H,13,14).
What are the key properties of 2-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid?
2-(5-amino-2-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-(5-amino-2-chlorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 166132537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).