1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine

C₉H₁₅F₂N — CID 174320417

About 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine

1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine (PubChem CID 174320417) has the molecular formula C₉H₁₅F₂N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine.

Molecular Properties

• Compound Name: 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine
• PubChem CID: 174320417
• Molecular Formula: C₉H₁₅F₂N
• Molecular Weight: 175.22 g/mol
• Exact Mass: 175.12
• IUPAC Name: 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine
• SMILES: C=C(C/C(=N/C)C(F)F)C(C)C
• InChI: InChI=1S/C9H15F2N/c1-6(2)7(3)5-8(12-4)9(10)11/h6,9H,3,5H2,1-2,4H3/b12-8-
• InChIKey: ZTEYRVZABOAQEZ-WQLSENKSSA-N
• XLogP: 2.92
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.22
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine?

The IUPAC name of 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine (CID 174320417) is 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine.

What is the SMILES notation for 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine?

The canonical SMILES for 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine is C=C(C/C(=N/C)C(F)F)C(C)C.

What is the InChIKey of 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine?

The InChIKey is ZTEYRVZABOAQEZ-WQLSENKSSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6(2)7(3)5-8(12-4)9(10)11/h6,9H,3,5H2,1-2,4H3/b12-8-.

What are the key properties of 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine?

1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine has a molecular weight of 175.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-N,5-dimethyl-4-methylidenehexan-2-imine is sourced from PubChem (CID 174320417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174320417 — identifiers, structure, computed properties (public domain)

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