(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine

C₉H₁₆F₃N — CID 170259421

About (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine

(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (PubChem CID 170259421) has the molecular formula C₉H₁₆F₃N and a molecular weight of 195.23 g/mol. Its IUPAC name is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.

Molecular Properties

• Compound Name: (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
• PubChem CID: 170259421
• Molecular Formula: C₉H₁₆F₃N
• Molecular Weight: 195.23 g/mol
• Exact Mass: 195.12
• IUPAC Name: (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
• SMILES: C/C=C(\CC)CCNCC(F)(F)F
• InChI: InChI=1S/C9H16F3N/c1-3-8(4-2)5-6-13-7-9(10,11)12/h3,13H,4-7H2,1-2H3/b8-3+
• InChIKey: SZTPPCAOHGETDC-FPYGCLRLSA-N
• XLogP: 2.88
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.23
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?

The IUPAC name of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine (CID 170259421) is (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine.

What is the SMILES notation for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?

The canonical SMILES for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine is C/C=C(\CC)CCNCC(F)(F)F.

What is the InChIKey of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?

The InChIKey is SZTPPCAOHGETDC-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-8(4-2)5-6-13-7-9(10,11)12/h3,13H,4-7H2,1-2H3/b8-3+.

What are the key properties of (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine?

(E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-ethyl-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine is sourced from PubChem (CID 170259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170259421 — identifiers, structure, computed properties (public domain)

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