1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol

C15H13F4NO — CID 115911628

IUPAC1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)Cc1ccccc1F
InChIInChI=1S/C15H13F4NO/c16-12-4-2-1-3-9(12)7-14(21)11-8-10(15(17,18)19)5-6-13(11)20/h1-6,8,14,21H,7,20H2
InChIKeyRJCYTENPQOJNIL-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.70
Rot. Bonds3

About 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol

1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol (PubChem CID 115911628) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
PubChem CID115911628
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)Cc1ccccc1F
InChIInChI=1S/C15H13F4NO/c16-12-4-2-1-3-9(12)7-14(21)11-8-10(15(17,18)19)5-6-13(11)20/h1-6,8,14,21H,7,20H2
InChIKeyRJCYTENPQOJNIL-UHFFFAOYSA-N
XLogP3.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol 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 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol?
The IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol (CID 115911628) is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol is Nc1ccc(C(F)(F)F)cc1C(O)Cc1ccccc1F.
What is the InChIKey of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol?
The InChIKey is RJCYTENPQOJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-4-2-1-3-9(12)7-14(21)11-8-10(15(17,18)19)5-6-13(11)20/h1-6,8,14,21H,7,20H2.
What are the key properties of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol?
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 115911628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).