(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine

C6H7F3N2 — CID 162570291

IUPAC(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/b3-2-,10-4+,11-5-
InChIKeyBAHGTOUPIPHSKA-HZBUJCRVSA-N
MW164.13 g/mol
LogP2.16
Rot. Bonds2

About (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine

(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine (PubChem CID 162570291) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine
PubChem CID162570291
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/b3-2-,10-4+,11-5-
InChIKeyBAHGTOUPIPHSKA-HZBUJCRVSA-N
XLogP2.16
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine?
The IUPAC name of (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine (CID 162570291) is (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine is [H]/N=C(/C=C\C(C)=N\[H])C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine?
The InChIKey is BAHGTOUPIPHSKA-HZBUJCRVSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4(10)2-3-5(11)6(7,8)9/h2-3,10-11H,1H3/b3-2-,10-4+,11-5-.
What are the key properties of (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine?
(Z)-1,1,1-trifluorohex-3-ene-2,5-diimine has a molecular weight of 164.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluorohex-3-ene-2,5-diimine is sourced from PubChem (CID 162570291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).