2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane

C8H8Cl2F2N2O2 — CID 174219272

IUPAC2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane
SMILESN.Nc1c(Cl)cc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C8H5Cl2F2NO2.H3N/c9-3-1-4(6(13)5(10)2-3)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);1H3
InChIKeyHBWFMAFIYLQGII-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane

2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane (PubChem CID 174219272) has the molecular formula C8H8Cl2F2N2O2 and a molecular weight of 273.07 g/mol. Its IUPAC name is 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane.

Molecular Properties

Compound Name2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane
PubChem CID174219272
Molecular FormulaC8H8Cl2F2N2O2
Molecular Weight273.07 g/mol
Exact Mass271.99
IUPAC Name2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane
SMILESN.Nc1c(Cl)cc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C8H5Cl2F2NO2.H3N/c9-3-1-4(6(13)5(10)2-3)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);1H3
InChIKeyHBWFMAFIYLQGII-UHFFFAOYSA-N
XLogP2.91
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane?
The IUPAC name of 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane (CID 174219272) is 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane.
What is the SMILES notation for 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane?
The canonical SMILES for 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane is N.Nc1c(Cl)cc(Cl)cc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane?
The InChIKey is HBWFMAFIYLQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO2.H3N/c9-3-1-4(6(13)5(10)2-3)8(11,12)7(14)15;/h1-2H,13H2,(H,14,15);1H3.
What are the key properties of 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane?
2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane has a molecular weight of 273.07 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-dichlorophenyl)-2,2-difluoroacetic acid;azane is sourced from PubChem (CID 174219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).