(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine

C₆H₁₁FN₂ — CID 156819096

About (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine

(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine (PubChem CID 156819096) has the molecular formula C₆H₁₁FN₂ and a molecular weight of 130.17 g/mol. Its IUPAC name is (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
• PubChem CID: 156819096
• Molecular Formula: C₆H₁₁FN₂
• Molecular Weight: 130.17 g/mol
• Exact Mass: 130.09
• IUPAC Name: (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
• SMILES: CC(=C/N)/C=N/C(C)F
• InChI: InChI=1S/C6H11FN2/c1-5(3-8)4-9-6(2)7/h3-4,6H,8H2,1-2H3/b5-3-,9-4+
• InChIKey: MUMDALIFKJZAPO-LWUTYWFWSA-N
• XLogP: 1.24
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	130.17
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?

The IUPAC name of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine (CID 156819096) is (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine.

What is the SMILES notation for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?

The canonical SMILES for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine is CC(=C/N)/C=N/C(C)F.

What is the InChIKey of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?

The InChIKey is MUMDALIFKJZAPO-LWUTYWFWSA-N. The full InChI is InChI=1S/C6H11FN2/c1-5(3-8)4-9-6(2)7/h3-4,6H,8H2,1-2H3/b5-3-,9-4+.

What are the key properties of (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine?

(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine has a molecular weight of 130.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 156819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156819096 — identifiers, structure, computed properties (public domain)

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