[4-amino-2-(trifluoromethyl)phenyl]methanol

C8H8F3NO — CID 59134957

IUPAC[4-amino-2-(trifluoromethyl)phenyl]methanol
SMILESNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2
InChIKeyRGYALELXDXYCKX-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.78
Rot. Bonds1

About [4-amino-2-(trifluoromethyl)phenyl]methanol

[4-amino-2-(trifluoromethyl)phenyl]methanol (PubChem CID 59134957) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is [4-amino-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-amino-2-(trifluoromethyl)phenyl]methanol
PubChem CID59134957
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name[4-amino-2-(trifluoromethyl)phenyl]methanol
SMILESNc1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2
InChIKeyRGYALELXDXYCKX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-amino-2-(trifluoromethyl)phenyl]methanol 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-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-amino-2-(trifluoromethyl)phenyl]methanol (CID 59134957) is [4-amino-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-amino-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-amino-2-(trifluoromethyl)phenyl]methanol is Nc1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-amino-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is RGYALELXDXYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2.
What are the key properties of [4-amino-2-(trifluoromethyl)phenyl]methanol?
[4-amino-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 191.15 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 59134957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).