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

C16H13ClF3NO — CID 123442628

IUPACN-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCC(=NOCc1ccccc1Cl)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
InChIKeyARPSRQYPAFZPQA-UHFFFAOYSA-N
MW327.73 g/mol
LogP5.30
Rot. Bonds4

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

N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 123442628) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID123442628
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCC(=NOCc1ccccc1Cl)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
InChIKeyARPSRQYPAFZPQA-UHFFFAOYSA-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 N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine (CID 123442628) is N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine is CC(=NOCc1ccccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is ARPSRQYPAFZPQA-UHFFFAOYSA-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.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine?
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 N-[(2-chlorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 123442628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).