3-amino-2-(trifluoromethyl)phenol

C7H6F3NO — CID 15919096

IUPAC3-amino-2-(trifluoromethyl)phenol
SMILESNc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3,12H,11H2
InChIKeyRUNYOYJSBYNOMZ-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.99
Rot. Bonds

About 3-amino-2-(trifluoromethyl)phenol

3-amino-2-(trifluoromethyl)phenol (PubChem CID 15919096) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-amino-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-amino-2-(trifluoromethyl)phenol
PubChem CID15919096
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-amino-2-(trifluoromethyl)phenol
SMILESNc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3,12H,11H2
InChIKeyRUNYOYJSBYNOMZ-UHFFFAOYSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.99
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 3-amino-2-(trifluoromethyl)phenol?
The IUPAC name of 3-amino-2-(trifluoromethyl)phenol (CID 15919096) is 3-amino-2-(trifluoromethyl)phenol.
What is the SMILES notation for 3-amino-2-(trifluoromethyl)phenol?
The canonical SMILES for 3-amino-2-(trifluoromethyl)phenol is Nc1cccc(O)c1C(F)(F)F.
What is the InChIKey of 3-amino-2-(trifluoromethyl)phenol?
The InChIKey is RUNYOYJSBYNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3,12H,11H2.
What are the key properties of 3-amino-2-(trifluoromethyl)phenol?
3-amino-2-(trifluoromethyl)phenol has a molecular weight of 177.12 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(trifluoromethyl)phenol is sourced from PubChem (CID 15919096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).