1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine

C₁₁H₁₅FN₂ — CID 154965437

About 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine

1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine (PubChem CID 154965437) has the molecular formula C₁₁H₁₅FN₂ and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine.

Molecular Properties

• Compound Name: 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
• PubChem CID: 154965437
• Molecular Formula: C₁₁H₁₅FN₂
• Molecular Weight: 194.25 g/mol
• Exact Mass: 194.12
• IUPAC Name: 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
• SMILES: [H]/N=c1\cc(C)ccn1C(C)(C)C(=C)F
• InChI: InChI=1S/C11H15FN2/c1-8-5-6-14(10(13)7-8)11(3,4)9(2)12/h5-7,13H,2H2,1,3-4H3/b13-10+
• InChIKey: ZDAKOOGELMKNPM-JLHYYAGUSA-N
• XLogP: 2.49
• TPSA: 28.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.25
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?

The IUPAC name of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine (CID 154965437) is 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine.

What is the SMILES notation for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?

The canonical SMILES for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine is [H]/N=c1\cc(C)ccn1C(C)(C)C(=C)F.

What is the InChIKey of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?

The InChIKey is ZDAKOOGELMKNPM-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-5-6-14(10(13)7-8)11(3,4)9(2)12/h5-7,13H,2H2,1,3-4H3/b13-10+.

What are the key properties of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?

1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine has a molecular weight of 194.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine is sourced from PubChem (CID 154965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154965437 — identifiers, structure, computed properties (public domain)

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