2-(trifluoromethylamino)phenol

C7H6F3NO — CID 54265338

IUPAC2-(trifluoromethylamino)phenol
SMILESOc1ccccc1NC(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,11-12H
InChIKeyRGIUICXQAQRZHD-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.32
Rot. Bonds1

About 2-(trifluoromethylamino)phenol

2-(trifluoromethylamino)phenol (PubChem CID 54265338) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-(trifluoromethylamino)phenol.

Molecular Properties

Compound Name2-(trifluoromethylamino)phenol
PubChem CID54265338
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-(trifluoromethylamino)phenol
SMILESOc1ccccc1NC(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,11-12H
InChIKeyRGIUICXQAQRZHD-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylamino)phenol?
The IUPAC name of 2-(trifluoromethylamino)phenol (CID 54265338) is 2-(trifluoromethylamino)phenol.
What is the SMILES notation for 2-(trifluoromethylamino)phenol?
The canonical SMILES for 2-(trifluoromethylamino)phenol is Oc1ccccc1NC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylamino)phenol?
The InChIKey is RGIUICXQAQRZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,11-12H.
What are the key properties of 2-(trifluoromethylamino)phenol?
2-(trifluoromethylamino)phenol has a molecular weight of 177.12 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylamino)phenol is sourced from PubChem (CID 54265338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).