(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine

C7H11F3N2 — CID 176961882

IUPAC(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine
SMILES[H]/N=C(CC)/C(=C\CN)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-6(12)5(3-4-11)7(8,9)10/h3,12H,2,4,11H2,1H3/b5-3+,12-6+
InChIKeyOJQNBIVUOHQMPJ-IBAXKFRNSA-N
MW180.17 g/mol
LogP1.86
Rot. Bonds3

About (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine

(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine (PubChem CID 176961882) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine
PubChem CID176961882
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine
SMILES[H]/N=C(CC)/C(=C\CN)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-6(12)5(3-4-11)7(8,9)10/h3,12H,2,4,11H2,1H3/b5-3+,12-6+
InChIKeyOJQNBIVUOHQMPJ-IBAXKFRNSA-N
XLogP1.86
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine?
The IUPAC name of (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine (CID 176961882) is (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine.
What is the SMILES notation for (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine?
The canonical SMILES for (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine is [H]/N=C(CC)/C(=C\CN)C(F)(F)F.
What is the InChIKey of (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine?
The InChIKey is OJQNBIVUOHQMPJ-IBAXKFRNSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-6(12)5(3-4-11)7(8,9)10/h3,12H,2,4,11H2,1H3/b5-3+,12-6+.
What are the key properties of (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine?
(E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine has a molecular weight of 180.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-3-(trifluoromethyl)hex-2-en-1-amine is sourced from PubChem (CID 176961882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).