(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine

C19H14F3NO — CID 46849134

IUPAC(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine
SMILESC=C/C=N/OC(C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H14F3NO/c1-2-14-23-24-18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)19(20,21)22/h2-9,11-12,14,18H,1H2/b23-14+
InChIKeyYEYOKRPXJCHROX-OEAKJJBVSA-N
MW329.32 g/mol
LogP4.99
Rot. Bonds4

About (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine

(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine (PubChem CID 46849134) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine
PubChem CID46849134
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine
SMILESC=C/C=N/OC(C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H14F3NO/c1-2-14-23-24-18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)19(20,21)22/h2-9,11-12,14,18H,1H2/b23-14+
InChIKeyYEYOKRPXJCHROX-OEAKJJBVSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.99
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'}

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Related Compounds

3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
Benzaldehyde, o-[(pentafluorophenyl)methyl]oxime
CID 9603583
Benzaldehyde O-pentafluorobenzyloxime
CID 602619
(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)-N-[(1R)-1,3-diphenylprop-2-ynoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 134837350
(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
CID 11054650
(E)-1-phenyl-N-[(1R)-1-phenylbutoxy]methanimine
CID 12022165
Phenyl-2,3-oxazine
CID 129819537
Cinnamic aldehyde, PFBO # 1
CID 91752818
3-Phenylpropionaldehyde O-pentafluorophenylmethyl-oxime
CID 91727495
Phenylacetaldehyde O-pentafluorophenylmethyl-oxime
CID 91727496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine?
The IUPAC name of (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine (CID 46849134) is (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine.
What is the SMILES notation for (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine?
The canonical SMILES for (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine is C=C/C=N/OC(C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine?
The InChIKey is YEYOKRPXJCHROX-OEAKJJBVSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-2-14-23-24-18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)19(20,21)22/h2-9,11-12,14,18H,1H2/b23-14+.
What are the key properties of (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine?
(E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine has a molecular weight of 329.32 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]prop-2-en-1-imine is sourced from PubChem (CID 46849134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).