2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine

C16H14F3NO2 — CID 56590726

IUPAC2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-
InChIKeyPXZUOXSQFVDKCI-HKWRFOASSA-N
MW309.29 g/mol
LogP4.39
Rot. Bonds4

About 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine

2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine (PubChem CID 56590726) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
PubChem CID56590726
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-
InChIKeyPXZUOXSQFVDKCI-HKWRFOASSA-N
XLogP4.39
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.39
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 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine (CID 56590726) is 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C(/c2cccc(OC)c2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
The InChIKey is PXZUOXSQFVDKCI-HKWRFOASSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-21-13-8-6-12(7-9-13)20-15(16(17,18)19)11-4-3-5-14(10-11)22-2/h3-10H,1-2H3/b20-15-.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine?
2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine has a molecular weight of 309.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 56590726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).