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

C14H10F3NO3 — CID 60986559

IUPAC5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccccc2C(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-3-1-2-4-12(10)21-11-6-5-8(18)7-9(11)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyPFMIWQWGVCRURQ-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.78
Rot. Bonds3

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

5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 60986559) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID60986559
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccccc2C(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-3-1-2-4-12(10)21-11-6-5-8(18)7-9(11)13(19)20/h1-7H,18H2,(H,19,20)
InChIKeyPFMIWQWGVCRURQ-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'}

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Related Compounds

5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114896080
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 23354673
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
CID 63735664
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid (CID 60986559) is 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid is Nc1ccc(Oc2ccccc2C(F)(F)F)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is PFMIWQWGVCRURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-3-1-2-4-12(10)21-11-6-5-8(18)7-9(11)13(19)20/h1-7H,18H2,(H,19,20).
What are the key properties of 5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid?
5-amino-2-[2-(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-[2-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 60986559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).