(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine

C₉H₁₅F₂N — CID 155313300

About (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine

(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine (PubChem CID 155313300) has the molecular formula C₉H₁₅F₂N and a molecular weight of 175.22 g/mol. Its IUPAC name is (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine.

Molecular Properties

• Compound Name: (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine
• PubChem CID: 155313300
• Molecular Formula: C₉H₁₅F₂N
• Molecular Weight: 175.22 g/mol
• Exact Mass: 175.12
• IUPAC Name: (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine
• SMILES: C/C1=C/CCC(C(F)F)CCN1
• InChI: InChI=1S/C9H15F2N/c1-7-3-2-4-8(9(10)11)5-6-12-7/h3,8-9,12H,2,4-6H2,1H3/b7-3-
• InChIKey: BJWSUOJJCWSNGA-CLTKARDFSA-N
• XLogP: 2.55
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.22
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?

The IUPAC name of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine (CID 155313300) is (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine.

What is the SMILES notation for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?

The canonical SMILES for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine is C/C1=C/CCC(C(F)F)CCN1.

What is the InChIKey of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?

The InChIKey is BJWSUOJJCWSNGA-CLTKARDFSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7-3-2-4-8(9(10)11)5-6-12-7/h3,8-9,12H,2,4-6H2,1H3/b7-3-.

What are the key properties of (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine?

(7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine has a molecular weight of 175.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-4-(difluoromethyl)-8-methyl-1,2,3,4,5,6-hexahydroazocine is sourced from PubChem (CID 155313300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155313300 — identifiers, structure, computed properties (public domain)

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