(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine

C15H9F6NO — CID 11473055

IUPAC(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)11-5-3-4-10(8-11)9-22-23-13-7-2-1-6-12(13)15(19,20)21/h1-9H/b22-9+
InChIKeyGPHUOFJXUGAHMJ-LSFURLLWSA-N
MW333.23 g/mol
LogP5.14
Rot. Bonds3

About (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 11473055) has the molecular formula C15H9F6NO and a molecular weight of 333.23 g/mol. Its IUPAC name is (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID11473055
Molecular FormulaC15H9F6NO
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC Name(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9F6NO/c16-14(17,18)11-5-3-4-10(8-11)9-22-23-13-7-2-1-6-12(13)15(19,20)21/h1-9H/b22-9+
InChIKeyGPHUOFJXUGAHMJ-LSFURLLWSA-N
XLogP5.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 55.14
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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Related Compounds

3-Fluoro-3'-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-4,4'-Diol
CID 135567291
2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
CID 135931726
(E)-N-phenoxy-1-phenylmethanimine
CID 11458266
(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine
CID 11149873
(E)-N-(3,5-difluorophenoxy)-1-[2-(trifluoromethyl)phenyl]methanimine
CID 11150771
(E)-N-[2-(trifluoromethyl)phenoxy]-1-[2-(trifluoromethyl)phenyl]methanimine
CID 11151742
(E)-N-(3,5-difluorophenoxy)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 11162400
(E)-1-(3,5-difluorophenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
CID 11185691
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
(E)-1-phenyl-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 11242541
(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine
CID 11264777
(E)-N-[3-(trifluoromethyl)phenoxy]-1-[2-(trifluoromethyl)phenyl]methanimine
CID 11325063

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine (CID 11473055) is (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/C=N/Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is GPHUOFJXUGAHMJ-LSFURLLWSA-N. The full InChI is InChI=1S/C15H9F6NO/c16-14(17,18)11-5-3-4-10(8-11)9-22-23-13-7-2-1-6-12(13)15(19,20)21/h1-9H/b22-9+.
What are the key properties of (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 333.23 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(trifluoromethyl)phenoxy]-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 11473055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).