(E)-1-fluorobut-1-en-1-amine

C₄H₈FN — CID 174005766

About (E)-1-fluorobut-1-en-1-amine

(E)-1-fluorobut-1-en-1-amine (PubChem CID 174005766) has the molecular formula C₄H₈FN and a molecular weight of 89.11 g/mol. Its IUPAC name is (E)-1-fluorobut-1-en-1-amine.

Molecular Properties

• Compound Name: (E)-1-fluorobut-1-en-1-amine
• PubChem CID: 174005766
• Molecular Formula: C₄H₈FN
• Molecular Weight: 89.11 g/mol
• Exact Mass: 89.06
• IUPAC Name: (E)-1-fluorobut-1-en-1-amine
• SMILES: CC/C=C(\N)F
• InChI: InChI=1S/C4H8FN/c1-2-3-4(5)6/h3H,2,6H2,1H3/b4-3-
• InChIKey: HKNWULBNHJVDSJ-ARJAWSKDSA-N
• XLogP: 1.17
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.11
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluorobut-1-en-1-amine?

The IUPAC name of (E)-1-fluorobut-1-en-1-amine (CID 174005766) is (E)-1-fluorobut-1-en-1-amine.

What is the SMILES notation for (E)-1-fluorobut-1-en-1-amine?

The canonical SMILES for (E)-1-fluorobut-1-en-1-amine is CC/C=C(\N)F.

What is the InChIKey of (E)-1-fluorobut-1-en-1-amine?

The InChIKey is HKNWULBNHJVDSJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H8FN/c1-2-3-4(5)6/h3H,2,6H2,1H3/b4-3-.

What are the key properties of (E)-1-fluorobut-1-en-1-amine?

(E)-1-fluorobut-1-en-1-amine has a molecular weight of 89.11 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-fluorobut-1-en-1-amine is sourced from PubChem (CID 174005766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174005766 — identifiers, structure, computed properties (public domain)

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