(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine

C23H16F3NO — CID 134837350

IUPAC(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/O[C@@H](C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)21-14-11-19(12-15-21)17-27-28-22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-12,14-15,17,22H/b27-17+/t22-/m0/s1
InChIKeyAQIDOYAPNPAGGJ-XDQFAZSOSA-N
MW379.38 g/mol
LogP5.85
Rot. Bonds4

About (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine

(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 134837350) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID134837350
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/O[C@@H](C#Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H16F3NO/c24-23(25,26)21-14-11-19(12-15-21)17-27-28-22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-12,14-15,17,22H/b27-17+/t22-/m0/s1
InChIKeyAQIDOYAPNPAGGJ-XDQFAZSOSA-N
XLogP5.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.85
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine with MolForge

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Related Compounds

(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine
CID 46849134
(Z)-N-(1,3-diphenylprop-2-ynoxy)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 101950518
(Z)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 134836998
(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
CID 12022165
(E)-N-phenylmethoxy-1-(2-phenylphenyl)methanimine
CID 56678914
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine
CID 56681879
(E,2R)-3,3-difluoro-3-phenyl-N,2-bis(phenylmethoxy)propan-1-imine
CID 15038956
N-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 75867087
N-phenylmethoxy-1-[2-(trifluoromethyl)phenyl]methanimine
CID 75981075
1-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854415
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
1-[2,5-bis(trifluoromethyl)phenyl]-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
CID 88363042

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 134837350) is (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/O[C@@H](C#Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is AQIDOYAPNPAGGJ-XDQFAZSOSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-23(25,26)21-14-11-19(12-15-21)17-27-28-22(20-9-5-2-6-10-20)16-13-18-7-3-1-4-8-18/h1-12,14-15,17,22H/b27-17+/t22-/m0/s1.
What are the key properties of (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 379.38 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 134837350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).