(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine

C16H14F3NO — CID 141388836

IUPAC(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
SMILESCC(O/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-12(21-20-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)16(17,18)19/h2-12H,1H3/b20-11+
InChIKeySBOVHGDPOFDDAN-RGVLZGJSSA-N
MW293.29 g/mol
LogP4.82
Rot. Bonds4

About (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine

(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine (PubChem CID 141388836) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
PubChem CID141388836
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine
SMILESCC(O/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-12(21-20-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)16(17,18)19/h2-12H,1H3/b20-11+
InChIKeySBOVHGDPOFDDAN-RGVLZGJSSA-N
XLogP4.82
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 ≤ 54.82
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)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The IUPAC name of (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine (CID 141388836) is (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine.
What is the SMILES notation for (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The canonical SMILES for (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine is CC(O/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
The InChIKey is SBOVHGDPOFDDAN-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-12(21-20-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)16(17,18)19/h2-12H,1H3/b20-11+.
What are the key properties of (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine?
(E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine has a molecular weight of 293.29 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethoxy]methanimine is sourced from PubChem (CID 141388836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).