Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine

C₇H₁₄F₃N — CID 156846125

About Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine

Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine (PubChem CID 156846125) has the molecular formula C₇H₁₄F₃N and a molecular weight of 169.19 g/mol. Its IUPAC name is ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine.

Molecular Properties

• Compound Name: Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
• PubChem CID: 156846125
• Molecular Formula: C₇H₁₄F₃N
• Molecular Weight: 169.19 g/mol
• Exact Mass: 169.11
• IUPAC Name: ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
• SMILES: C=C(NCC)C(F)(F)F.CC
• InChI: InChI=1S/C5H8F3N.C2H6/c1-3-9-4(2)5(6,7)8;1-2/h9H,2-3H2,1H3;1-2H3
• InChIKey: QFKJBEBWGBBYMI-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.19
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?

The IUPAC name of Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine (CID 156846125) is ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine.

What is the SMILES notation for Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?

The canonical SMILES for Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine is C=C(NCC)C(F)(F)F.CC.

What is the InChIKey of Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?

The InChIKey is QFKJBEBWGBBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.C2H6/c1-3-9-4(2)5(6,7)8;1-2/h9H,2-3H2,1H3;1-2H3.

What are the key properties of Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine?

Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;N-ethyl-3,3,3-trifluoroprop-1-en-2-amine is sourced from PubChem (CID 156846125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156846125 — identifiers, structure, computed properties (public domain)

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