(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine

C7H9F3N2 — CID 118019234

IUPAC(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILES[H]/N=C/C=C(\C=C(/C)N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(12)4-6(2-3-11)7(8,9)10/h2-4,11H,12H2,1H3/b5-4+,6-2+,11-3+
InChIKeyBPYLEKPPRAWMPF-PJEBCQTRSA-N
MW178.16 g/mol
LogP1.99
Rot. Bonds2

About (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine

(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine (PubChem CID 118019234) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine
PubChem CID118019234
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILES[H]/N=C/C=C(\C=C(/C)N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(12)4-6(2-3-11)7(8,9)10/h2-4,11H,12H2,1H3/b5-4+,6-2+,11-3+
InChIKeyBPYLEKPPRAWMPF-PJEBCQTRSA-N
XLogP1.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.99
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,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine (CID 118019234) is (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine is [H]/N=C/C=C(\C=C(/C)N)C(F)(F)F.
What is the InChIKey of (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
The InChIKey is BPYLEKPPRAWMPF-PJEBCQTRSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(12)4-6(2-3-11)7(8,9)10/h2-4,11H,12H2,1H3/b5-4+,6-2+,11-3+.
What are the key properties of (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine?
(2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine has a molecular weight of 178.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-imino-4-(trifluoromethyl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 118019234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).