(E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine

C₁₀H₁₃ClF₃N — CID 171557687

About (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine

(E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine (PubChem CID 171557687) has the molecular formula C₁₀H₁₃ClF₃N and a molecular weight of 239.67 g/mol. Its IUPAC name is (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

• Compound Name: (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine
• PubChem CID: 171557687
• Molecular Formula: C₁₀H₁₃ClF₃N
• Molecular Weight: 239.67 g/mol
• Exact Mass: 239.07
• IUPAC Name: (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine
• SMILES: CCC/C=C(/N=C/C=C(\C)Cl)C(F)(F)F
• InChI: InChI=1S/C10H13ClF3N/c1-3-4-5-9(10(12,13)14)15-7-6-8(2)11/h5-7H,3-4H2,1-2H3/b8-6+,9-5+,15-7+
• InChIKey: QTTWLDZRLCKKEQ-DKOKTEPSSA-N
• XLogP: 4.45
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.67
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine?

The IUPAC name of (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine (CID 171557687) is (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine.

What is the SMILES notation for (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine?

The canonical SMILES for (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine is CCC/C=C(/N=C/C=C(\C)Cl)C(F)(F)F.

What is the InChIKey of (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine?

The InChIKey is QTTWLDZRLCKKEQ-DKOKTEPSSA-N. The full InChI is InChI=1S/C10H13ClF3N/c1-3-4-5-9(10(12,13)14)15-7-6-8(2)11/h5-7H,3-4H2,1-2H3/b8-6+,9-5+,15-7+.

What are the key properties of (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine?

(E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine has a molecular weight of 239.67 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-chloro-N-[(E)-1,1,1-trifluorohex-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 171557687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171557687 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.