1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine

C₆H₁₁F₃N₂O — CID 103217597

About 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine (PubChem CID 103217597) has the molecular formula C₆H₁₁F₃N₂O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine.

Molecular Properties

• Compound Name: 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine
• PubChem CID: 103217597
• Molecular Formula: C₆H₁₁F₃N₂O
• Molecular Weight: 184.16 g/mol
• Exact Mass: 184.08
• IUPAC Name: 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine
• SMILES: C=CC(COCC(F)(F)F)NN
• InChI: InChI=1S/C6H11F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h2,5,11H,1,3-4,10H2
• InChIKey: GRSWZCBZAZEYGS-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 47.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.16
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?

The IUPAC name of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine (CID 103217597) is 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine.

What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?

The canonical SMILES for 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine is C=CC(COCC(F)(F)F)NN.

What is the InChIKey of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?

The InChIKey is GRSWZCBZAZEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-2-5(11-10)3-12-4-6(7,8)9/h2,5,11H,1,3-4,10H2.

What are the key properties of 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine?

1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine has a molecular weight of 184.16 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2,2-trifluoroethoxy)but-3-en-2-ylhydrazine is sourced from PubChem (CID 103217597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103217597 — identifiers, structure, computed properties (public domain)

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