1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine

C16H14F3NO2 — CID 2381276

IUPAC1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCCOc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-2-21-15-6-4-3-5-12(15)11-20-13-7-9-14(10-8-13)22-16(17,18)19/h3-11H,2H2,1H3/b20-11+
InChIKeyNQPFRVMUMGTBKD-RGVLZGJSSA-N
MW309.29 g/mol
LogP4.73
Rot. Bonds5

About 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine

1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 2381276) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID2381276
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
SMILESCCOc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-2-21-15-6-4-3-5-12(15)11-20-13-7-9-14(10-8-13)22-16(17,18)19/h3-11H,2H2,1H3/b20-11+
InChIKeyNQPFRVMUMGTBKD-RGVLZGJSSA-N
XLogP4.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine (CID 2381276) is 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine is CCOc1ccccc1/C=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is NQPFRVMUMGTBKD-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-2-21-15-6-4-3-5-12(15)11-20-13-7-9-14(10-8-13)22-16(17,18)19/h3-11H,2H2,1H3/b20-11+.
What are the key properties of 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine?
1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 309.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 2381276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).