2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid

C9H8F3NO2 — CID 18794322

IUPAC2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid
SMILESNc1ccc(CC(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(13)2-1-5(7)3-8(14)15/h1-2,4H,3,13H2,(H,14,15)
InChIKeyBRHZOLYAJMFXGZ-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.91
Rot. Bonds2

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

2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 18794322) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID18794322
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid
SMILESNc1ccc(CC(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(13)2-1-5(7)3-8(14)15/h1-2,4H,3,13H2,(H,14,15)
InChIKeyBRHZOLYAJMFXGZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-amino-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid (CID 18794322) is 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid is Nc1ccc(CC(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is BRHZOLYAJMFXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)7-4-6(13)2-1-5(7)3-8(14)15/h1-2,4H,3,13H2,(H,14,15).
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid?
2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 219.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 18794322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).