(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine

C18H20F3NO — CID 139386398

IUPAC(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine
SMILESC=CCOC(=C/C(=C/CC)C(F)(F)F)/C(=N/C)c1ccccc1
InChIInChI=1S/C18H20F3NO/c1-4-9-15(18(19,20)21)13-16(23-12-5-2)17(22-3)14-10-7-6-8-11-14/h5-11,13H,2,4,12H2,1,3H3/b15-9-,16-13+,22-17+
InChIKeyYLLOEOKUFMYNTJ-SURYZWFSSA-N
MW323.36 g/mol
LogP5.09
Rot. Bonds7

About (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine

(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine (PubChem CID 139386398) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine
PubChem CID139386398
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine
SMILESC=CCOC(=C/C(=C/CC)C(F)(F)F)/C(=N/C)c1ccccc1
InChIInChI=1S/C18H20F3NO/c1-4-9-15(18(19,20)21)13-16(23-12-5-2)17(22-3)14-10-7-6-8-11-14/h5-11,13H,2,4,12H2,1,3H3/b15-9-,16-13+,22-17+
InChIKeyYLLOEOKUFMYNTJ-SURYZWFSSA-N
XLogP5.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine (CID 139386398) is (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine is C=CCOC(=C/C(=C/CC)C(F)(F)F)/C(=N/C)c1ccccc1.
What is the InChIKey of (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine?
The InChIKey is YLLOEOKUFMYNTJ-SURYZWFSSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-4-9-15(18(19,20)21)13-16(23-12-5-2)17(22-3)14-10-7-6-8-11-14/h5-11,13H,2,4,12H2,1,3H3/b15-9-,16-13+,22-17+.
What are the key properties of (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine?
(2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine has a molecular weight of 323.36 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-1-phenyl-2-prop-2-enoxy-4-(trifluoromethyl)hepta-2,4-dien-1-imine is sourced from PubChem (CID 139386398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).