(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine

C13H14ClF3N2 — CID 130243075

IUPAC(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine
SMILESC=C/C(Cl)=C\C(=C/C)C(/C=C(\N=C)C(F)(F)F)=NC
InChIInChI=1S/C13H14ClF3N2/c1-5-9(7-10(14)6-2)11(18-3)8-12(19-4)13(15,16)17/h5-8H,2,4H2,1,3H3/b9-5+,10-7+,12-8-,18-11-
InChIKeyUXZUIXXEXXUEMK-FUBBCPJCSA-N
MW290.72 g/mol
LogP4.46
Rot. Bonds5

About (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine

(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine (PubChem CID 130243075) has the molecular formula C13H14ClF3N2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine.

Molecular Properties

Compound Name(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine
PubChem CID130243075
Molecular FormulaC13H14ClF3N2
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine
SMILESC=C/C(Cl)=C\C(=C/C)C(/C=C(\N=C)C(F)(F)F)=NC
InChIInChI=1S/C13H14ClF3N2/c1-5-9(7-10(14)6-2)11(18-3)8-12(19-4)13(15,16)17/h5-8H,2,4H2,1,3H3/b9-5+,10-7+,12-8-,18-11-
InChIKeyUXZUIXXEXXUEMK-FUBBCPJCSA-N
XLogP4.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine?
The IUPAC name of (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine (CID 130243075) is (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine.
What is the SMILES notation for (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine?
The canonical SMILES for (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine is C=C/C(Cl)=C\C(=C/C)C(/C=C(\N=C)C(F)(F)F)=NC.
What is the InChIKey of (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine?
The InChIKey is UXZUIXXEXXUEMK-FUBBCPJCSA-N. The full InChI is InChI=1S/C13H14ClF3N2/c1-5-9(7-10(14)6-2)11(18-3)8-12(19-4)13(15,16)17/h5-8H,2,4H2,1,3H3/b9-5+,10-7+,12-8-,18-11-.
What are the key properties of (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine?
(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine has a molecular weight of 290.72 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine is sourced from PubChem (CID 130243075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).