2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid

C10H9F5N2O2 — CID 106295430

IUPAC2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid
SMILESNc1cc(F)c(NCC(F)(F)C(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F5N2O2/c11-5-2-6(16)4(8(18)19)1-7(5)17-3-10(14,15)9(12)13/h1-2,9,17H,3,16H2,(H,18,19)
InChIKeyVNLBECRZAGPPFD-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid

2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid (PubChem CID 106295430) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid
PubChem CID106295430
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid
SMILESNc1cc(F)c(NCC(F)(F)C(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F5N2O2/c11-5-2-6(16)4(8(18)19)1-7(5)17-3-10(14,15)9(12)13/h1-2,9,17H,3,16H2,(H,18,19)
InChIKeyVNLBECRZAGPPFD-UHFFFAOYSA-N
XLogP2.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid?
The IUPAC name of 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid (CID 106295430) is 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid.
What is the SMILES notation for 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid?
The canonical SMILES for 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid is Nc1cc(F)c(NCC(F)(F)C(F)F)cc1C(=O)O.
What is the InChIKey of 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid?
The InChIKey is VNLBECRZAGPPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c11-5-2-6(16)4(8(18)19)1-7(5)17-3-10(14,15)9(12)13/h1-2,9,17H,3,16H2,(H,18,19).
What are the key properties of 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid?
2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid has a molecular weight of 284.18 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(2,2,3,3-tetrafluoropropylamino)benzoic acid is sourced from PubChem (CID 106295430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).