1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone

C15H12F3NO2 — CID 151682284

IUPAC1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone
SMILESNc1cc(C(F)(F)F)ccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)10-6-7-11(12(19)8-10)14(21)13(20)9-4-2-1-3-5-9/h1-8,13,20H,19H2
InChIKeyRAUFGUWTGIUHQM-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone

1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone (PubChem CID 151682284) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone
PubChem CID151682284
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone
SMILESNc1cc(C(F)(F)F)ccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)10-6-7-11(12(19)8-10)14(21)13(20)9-4-2-1-3-5-9/h1-8,13,20H,19H2
InChIKeyRAUFGUWTGIUHQM-UHFFFAOYSA-N
XLogP3.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone (CID 151682284) is 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone is Nc1cc(C(F)(F)F)ccc1C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone?
The InChIKey is RAUFGUWTGIUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)10-6-7-11(12(19)8-10)14(21)13(20)9-4-2-1-3-5-9/h1-8,13,20H,19H2.
What are the key properties of 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone?
1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone has a molecular weight of 295.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(trifluoromethyl)phenyl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 151682284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).