(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine

C7H9F3N2 — CID 143245775

IUPAC(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
SMILESC/C=C(\C=N\C=C\N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-2-6(7(8,9)10)5-12-4-3-11/h2-5H,11H2,1H3/b4-3+,6-2+,12-5+
InChIKeyRSBVRMQJYQYOGG-MJKXPGPTSA-N
MW178.16 g/mol
LogP2.00
Rot. Bonds2

About (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine

(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine (PubChem CID 143245775) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine.

Molecular Properties

Compound Name(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
PubChem CID143245775
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
SMILESC/C=C(\C=N\C=C\N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-2-6(7(8,9)10)5-12-4-3-11/h2-5H,11H2,1H3/b4-3+,6-2+,12-5+
InChIKeyRSBVRMQJYQYOGG-MJKXPGPTSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
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)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine?
The IUPAC name of (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine (CID 143245775) is (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine.
What is the SMILES notation for (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine?
The canonical SMILES for (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine is C/C=C(\C=N\C=C\N)C(F)(F)F.
What is the InChIKey of (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine?
The InChIKey is RSBVRMQJYQYOGG-MJKXPGPTSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-2-6(7(8,9)10)5-12-4-3-11/h2-5H,11H2,1H3/b4-3+,6-2+,12-5+.
What are the key properties of (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine?
(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine has a molecular weight of 178.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine is sourced from PubChem (CID 143245775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).