(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine

C6H8F3N3 — CID 89025329

IUPAC(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine
SMILESC=C(/N=C/C(N)=C\N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(11)2-10/h2-3H,1,10-11H2/b5-2+,12-3+
InChIKeyQUUXVCJPYVYKEM-FDXHQUMFSA-N
MW179.15 g/mol
LogP0.89
Rot. Bonds2

About (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine

(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine (PubChem CID 89025329) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine
PubChem CID89025329
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine
SMILESC=C(/N=C/C(N)=C\N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(11)2-10/h2-3H,1,10-11H2/b5-2+,12-3+
InChIKeyQUUXVCJPYVYKEM-FDXHQUMFSA-N
XLogP0.89
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine (CID 89025329) is (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine is C=C(/N=C/C(N)=C\N)C(F)(F)F.
What is the InChIKey of (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine?
The InChIKey is QUUXVCJPYVYKEM-FDXHQUMFSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4(6(7,8)9)12-3-5(11)2-10/h2-3H,1,10-11H2/b5-2+,12-3+.
What are the key properties of (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine?
(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine has a molecular weight of 179.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 89025329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).