2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid

C10H10F3NO4 — CID 107341705

IUPAC2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
SMILESNc1cccc(OCCOC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-5-4-17-7-3-1-2-6(14)8(7)9(15)16/h1-3H,4-5,14H2,(H,15,16)
InChIKeyARRSGZBLSJODNT-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid

2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid (PubChem CID 107341705) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
PubChem CID107341705
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
SMILESNc1cccc(OCCOC(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)18-5-4-17-7-3-1-2-6(14)8(7)9(15)16/h1-3H,4-5,14H2,(H,15,16)
InChIKeyARRSGZBLSJODNT-UHFFFAOYSA-N
XLogP1.88
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 107341680
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
CID 107341512
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 107341681
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid?
The IUPAC name of 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid (CID 107341705) is 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid is Nc1cccc(OCCOC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid?
The InChIKey is ARRSGZBLSJODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)18-5-4-17-7-3-1-2-6(14)8(7)9(15)16/h1-3H,4-5,14H2,(H,15,16).
What are the key properties of 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid?
2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid has a molecular weight of 265.19 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid is sourced from PubChem (CID 107341705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).