5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid

C14H10F3NO3 — CID 60987032

IUPAC5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)8-1-4-10(5-2-8)21-12-6-3-9(18)7-11(12)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyRQUJOWMROIDVTC-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.78
Rot. Bonds3

About 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid

5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 60987032) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID60987032
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)8-1-4-10(5-2-8)21-12-6-3-9(18)7-11(12)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyRQUJOWMROIDVTC-UHFFFAOYSA-N
XLogP3.78
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-[4-(trifluoromethyl)phenoxy]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

Related Compounds

5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
5-amino-N-imino-2-[4-(trifluoromethyl)phenoxy]benzenecarboximidamide;ethane;ethene;methanamine
CID 162379027
2-(4-aminophenoxy)-5-[[4-(4-aminophenoxy)-3-carboxyphenyl]methyl]benzoic acid
CID 18381152
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
4-[4-[4,5-dicarboxy-2-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)phthalic acid
CID 19782932
4-[4-(4-aminophenoxy)-2,3-bis(trifluoromethyl)phenoxy]aniline
CID 141170037

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid (CID 60987032) is 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid is Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is RQUJOWMROIDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)8-1-4-10(5-2-8)21-12-6-3-9(18)7-11(12)13(19)20/h1-7H,18H2,(H,19,20).
What are the key properties of 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid?
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 60987032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).