(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine

C11H14F3N — CID 135190182

IUPAC(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
SMILESC=C/C(=C\C(=C/C)\C(C)=N\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-5-9(8(3)15-4)7-10(6-2)11(12,13)14/h5-7H,2H2,1,3-4H3/b9-5+,10-7+,15-8+
InChIKeyLMRUULBBBYQECM-KOIHINQFSA-N
MW217.23 g/mol
LogP3.70
Rot. Bonds3

About (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine

(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine (PubChem CID 135190182) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
PubChem CID135190182
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
SMILESC=C/C(=C\C(=C/C)\C(C)=N\C)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-5-9(8(3)15-4)7-10(6-2)11(12,13)14/h5-7H,2H2,1,3-4H3/b9-5+,10-7+,15-8+
InChIKeyLMRUULBBBYQECM-KOIHINQFSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine?
The IUPAC name of (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine (CID 135190182) is (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine.
What is the SMILES notation for (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine?
The canonical SMILES for (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine is C=C/C(=C\C(=C/C)\C(C)=N\C)C(F)(F)F.
What is the InChIKey of (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine?
The InChIKey is LMRUULBBBYQECM-KOIHINQFSA-N. The full InChI is InChI=1S/C11H14F3N/c1-5-9(8(3)15-4)7-10(6-2)11(12,13)14/h5-7H,2H2,1,3-4H3/b9-5+,10-7+,15-8+.
What are the key properties of (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine?
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine has a molecular weight of 217.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine is sourced from PubChem (CID 135190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).