(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine

C₉H₁₄FN — CID 144768742

About (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine

(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine (PubChem CID 144768742) has the molecular formula C₉H₁₄FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine.

Molecular Properties

• Compound Name: (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine
• PubChem CID: 144768742
• Molecular Formula: C₉H₁₄FN
• Molecular Weight: 155.22 g/mol
• Exact Mass: 155.11
• IUPAC Name: (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine
• SMILES: C=C(F)/N=C(/C)C(=C)C(C)C
• InChI: InChI=1S/C9H14FN/c1-6(2)7(3)8(4)11-9(5)10/h6H,3,5H2,1-2,4H3/b11-8-
• InChIKey: KVKKXLIKMXFKHS-FLIBITNWSA-N
• XLogP: 3.10
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.22
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine?

The IUPAC name of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine (CID 144768742) is (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine.

What is the SMILES notation for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine?

The canonical SMILES for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine is C=C(F)/N=C(/C)C(=C)C(C)C.

What is the InChIKey of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine?

The InChIKey is KVKKXLIKMXFKHS-FLIBITNWSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)7(3)8(4)11-9(5)10/h6H,3,5H2,1-2,4H3/b11-8-.

What are the key properties of (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine?

(Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(1-fluoroethenyl)-4-methyl-3-methylidenepentan-2-imine is sourced from PubChem (CID 144768742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144768742 — identifiers, structure, computed properties (public domain)

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