(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

C18H15F6NO — CID 88957500

IUPAC(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H15F6NO/c1-11-3-8-15(16(9-11)18(22,23)24)12(2)25-26-10-13-4-6-14(7-5-13)17(19,20)21/h3-9H,10H2,1-2H3/b25-12+
InChIKeyIQTFTHJCQSZRCU-BRJLIKDPSA-N
MW375.31 g/mol
LogP5.97
Rot. Bonds4

About (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine

(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 88957500) has the molecular formula C18H15F6NO and a molecular weight of 375.31 g/mol. Its IUPAC name is (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID88957500
Molecular FormulaC18H15F6NO
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H15F6NO/c1-11-3-8-15(16(9-11)18(22,23)24)12(2)25-26-10-13-4-6-14(7-5-13)17(19,20)21/h3-9H,10H2,1-2H3/b25-12+
InChIKeyIQTFTHJCQSZRCU-BRJLIKDPSA-N
XLogP5.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.97
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-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 88957500) is (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is IQTFTHJCQSZRCU-BRJLIKDPSA-N. The full InChI is InChI=1S/C18H15F6NO/c1-11-3-8-15(16(9-11)18(22,23)24)12(2)25-26-10-13-4-6-14(7-5-13)17(19,20)21/h3-9H,10H2,1-2H3/b25-12+.
What are the key properties of (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine?
(E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 375.31 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-methyl-2-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 88957500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).