(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine

C7H7F3N2 — CID 143982964

IUPAC(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine
SMILES[H]/N=C\C=C/C(=C\C=N/[H])C(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6(3-5-12)2-1-4-11/h1-5,11-12H/b2-1-,6-3+,11-4-,12-5-
InChIKeyNCALKUJJHGTJES-ZWIMPEOISA-N
MW176.14 g/mol
LogP2.33
Rot. Bonds3

About (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine

(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine (PubChem CID 143982964) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine.

Molecular Properties

Compound Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine
PubChem CID143982964
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine
SMILES[H]/N=C\C=C/C(=C\C=N/[H])C(F)(F)F
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6(3-5-12)2-1-4-11/h1-5,11-12H/b2-1-,6-3+,11-4-,12-5-
InChIKeyNCALKUJJHGTJES-ZWIMPEOISA-N
XLogP2.33
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine?
The IUPAC name of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine (CID 143982964) is (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine.
What is the SMILES notation for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine?
The canonical SMILES for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine is [H]/N=C\C=C/C(=C\C=N/[H])C(F)(F)F.
What is the InChIKey of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine?
The InChIKey is NCALKUJJHGTJES-ZWIMPEOISA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)6(3-5-12)2-1-4-11/h1-5,11-12H/b2-1-,6-3+,11-4-,12-5-.
What are the key properties of (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine?
(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine has a molecular weight of 176.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene-1,6-diimine is sourced from PubChem (CID 143982964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).