(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine

C16H13ClF3NO — CID 88957272

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-11(13-7-3-4-8-14(13)16(18,19)20)21-22-10-12-6-2-5-9-15(12)17/h2-9H,10H2,1H3/b21-11+
InChIKeyARPSRQYPAFZPQA-SRZZPIQSSA-N
MW327.73 g/mol
LogP5.30
Rot. Bonds4

About (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine

(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 88957272) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID88957272
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-11(13-7-3-4-8-14(13)16(18,19)20)21-22-10-12-6-2-5-9-15(12)17/h2-9H,10H2,1H3/b21-11+
InChIKeyARPSRQYPAFZPQA-SRZZPIQSSA-N
XLogP5.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.30
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-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine (CID 88957272) is (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\OCc1ccccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is ARPSRQYPAFZPQA-SRZZPIQSSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-11(13-7-3-4-8-14(13)16(18,19)20)21-22-10-12-6-2-5-9-15(12)17/h2-9H,10H2,1H3/b21-11+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 327.73 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 88957272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).