2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C16H14F3NO — CID 134883923

IUPAC2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(C/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-10,15,21H,11H2/b20-10+
InChIKeyCAUFJLOBXYLVGW-KEBDBYFISA-N
MW293.29 g/mol
LogP3.86
Rot. Bonds4

About 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 134883923) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID134883923
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(C/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-10,15,21H,11H2/b20-10+
InChIKeyCAUFJLOBXYLVGW-KEBDBYFISA-N
XLogP3.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 134883923) is 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol is OC(C/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CAUFJLOBXYLVGW-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)14-8-4-7-13(9-14)15(21)11-20-10-12-5-2-1-3-6-12/h1-10,15,21H,11H2/b20-10+.
What are the key properties of 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 293.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 134883923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).