2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid

C9H8F3NO3 — CID 171392192

IUPAC2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid
SMILESNc1cc(OCC(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)6-2-1-5(3-7(6)13)16-4-8(14)15/h1-3H,4,13H2,(H,14,15)
InChIKeyDVPLZWSTAUFITE-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.75
Rot. Bonds3

About 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid

2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 171392192) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID171392192
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid
SMILESNc1cc(OCC(=O)O)ccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)6-2-1-5(3-7(6)13)16-4-8(14)15/h1-3H,4,13H2,(H,14,15)
InChIKeyDVPLZWSTAUFITE-UHFFFAOYSA-N
XLogP1.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.75
H-Bond Donors ≤ 52
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-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid (CID 171392192) is 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid is Nc1cc(OCC(=O)O)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is DVPLZWSTAUFITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)6-2-1-5(3-7(6)13)16-4-8(14)15/h1-3H,4,13H2,(H,14,15).
What are the key properties of 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid?
2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 171392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).