(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine

C16H14F3NO — CID 88957278

IUPAC(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESCCO/N=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO/c1-2-21-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11H,2H2,1H3/b20-15+
InChIKeyFWZSNLZHGPTZOZ-HMMYKYKNSA-N
MW293.29 g/mol
LogP4.49
Rot. Bonds4

About (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine

(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 88957278) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID88957278
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESCCO/N=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO/c1-2-21-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11H,2H2,1H3/b20-15+
InChIKeyFWZSNLZHGPTZOZ-HMMYKYKNSA-N
XLogP4.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine (CID 88957278) is (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine is CCO/N=C(\c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is FWZSNLZHGPTZOZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-2-21-20-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17,18)19/h3-11H,2H2,1H3/b20-15+.
What are the key properties of (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine?
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 293.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 88957278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).