5-amino-4-fluoro-2-(trifluoromethyl)phenol

C7H5F4NO — CID 130766695

IUPAC5-amino-4-fluoro-2-(trifluoromethyl)phenol
SMILESNc1cc(O)c(C(F)(F)F)cc1F
InChIInChI=1S/C7H5F4NO/c8-4-1-3(7(9,10)11)6(13)2-5(4)12/h1-2,13H,12H2
InChIKeyQSTBGENVNTXDBK-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.13
Rot. Bonds

About 5-amino-4-fluoro-2-(trifluoromethyl)phenol

5-amino-4-fluoro-2-(trifluoromethyl)phenol (PubChem CID 130766695) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-amino-4-fluoro-2-(trifluoromethyl)phenol
PubChem CID130766695
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name5-amino-4-fluoro-2-(trifluoromethyl)phenol
SMILESNc1cc(O)c(C(F)(F)F)cc1F
InChIInChI=1S/C7H5F4NO/c8-4-1-3(7(9,10)11)6(13)2-5(4)12/h1-2,13H,12H2
InChIKeyQSTBGENVNTXDBK-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-4-fluoro-2-(trifluoromethyl)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 5-amino-4-fluoro-2-(trifluoromethyl)phenol?
The IUPAC name of 5-amino-4-fluoro-2-(trifluoromethyl)phenol (CID 130766695) is 5-amino-4-fluoro-2-(trifluoromethyl)phenol.
What is the SMILES notation for 5-amino-4-fluoro-2-(trifluoromethyl)phenol?
The canonical SMILES for 5-amino-4-fluoro-2-(trifluoromethyl)phenol is Nc1cc(O)c(C(F)(F)F)cc1F.
What is the InChIKey of 5-amino-4-fluoro-2-(trifluoromethyl)phenol?
The InChIKey is QSTBGENVNTXDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-4-1-3(7(9,10)11)6(13)2-5(4)12/h1-2,13H,12H2.
What are the key properties of 5-amino-4-fluoro-2-(trifluoromethyl)phenol?
5-amino-4-fluoro-2-(trifluoromethyl)phenol has a molecular weight of 195.12 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-2-(trifluoromethyl)phenol is sourced from PubChem (CID 130766695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).