N-prop-1-en-2-ylmethanimidoyl fluoride

C₄H₆FN — CID 123448995

About N-prop-1-en-2-ylmethanimidoyl fluoride

N-prop-1-en-2-ylmethanimidoyl fluoride (PubChem CID 123448995) has the molecular formula C₄H₆FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-prop-1-en-2-ylmethanimidoyl fluoride.

Molecular Properties

• Compound Name: N-prop-1-en-2-ylmethanimidoyl fluoride
• PubChem CID: 123448995
• Molecular Formula: C₄H₆FN
• Molecular Weight: 87.10 g/mol
• Exact Mass: 87.05
• IUPAC Name: N-prop-1-en-2-ylmethanimidoyl fluoride
• SMILES: C=C(C)/N=C/F
• InChI: InChI=1S/C4H6FN/c1-4(2)6-3-5/h3H,1H2,2H3/b6-3+
• InChIKey: SEVYCOXRHCHZDE-ZZXKWVIFSA-N
• XLogP: 1.52
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	87.10
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylmethanimidoyl fluoride?

The IUPAC name of N-prop-1-en-2-ylmethanimidoyl fluoride (CID 123448995) is N-prop-1-en-2-ylmethanimidoyl fluoride.

What is the SMILES notation for N-prop-1-en-2-ylmethanimidoyl fluoride?

The canonical SMILES for N-prop-1-en-2-ylmethanimidoyl fluoride is C=C(C)/N=C/F.

What is the InChIKey of N-prop-1-en-2-ylmethanimidoyl fluoride?

The InChIKey is SEVYCOXRHCHZDE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H6FN/c1-4(2)6-3-5/h3H,1H2,2H3/b6-3+.

What are the key properties of N-prop-1-en-2-ylmethanimidoyl fluoride?

N-prop-1-en-2-ylmethanimidoyl fluoride has a molecular weight of 87.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-prop-1-en-2-ylmethanimidoyl fluoride is sourced from PubChem (CID 123448995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123448995 — identifiers, structure, computed properties (public domain)

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