4-amino-2-(2,2,2-trifluoroethyl)phenol

C8H8F3NO — CID 142924300

IUPAC4-amino-2-(2,2,2-trifluoroethyl)phenol
SMILESNc1ccc(O)c(CC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-5-3-6(12)1-2-7(5)13/h1-3,13H,4,12H2
InChIKeyJFKJJUYVRYXODI-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.08
Rot. Bonds1

About 4-amino-2-(2,2,2-trifluoroethyl)phenol

4-amino-2-(2,2,2-trifluoroethyl)phenol (PubChem CID 142924300) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-amino-2-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name4-amino-2-(2,2,2-trifluoroethyl)phenol
PubChem CID142924300
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-amino-2-(2,2,2-trifluoroethyl)phenol
SMILESNc1ccc(O)c(CC(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-5-3-6(12)1-2-7(5)13/h1-3,13H,4,12H2
InChIKeyJFKJJUYVRYXODI-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,2,2-trifluoroethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 4-amino-2-(2,2,2-trifluoroethyl)phenol (CID 142924300) is 4-amino-2-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 4-amino-2-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 4-amino-2-(2,2,2-trifluoroethyl)phenol is Nc1ccc(O)c(CC(F)(F)F)c1.
What is the InChIKey of 4-amino-2-(2,2,2-trifluoroethyl)phenol?
The InChIKey is JFKJJUYVRYXODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)4-5-3-6(12)1-2-7(5)13/h1-3,13H,4,12H2.
What are the key properties of 4-amino-2-(2,2,2-trifluoroethyl)phenol?
4-amino-2-(2,2,2-trifluoroethyl)phenol has a molecular weight of 191.15 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 142924300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).