(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine

C₁₈H₃₁F₄N — CID 155082561

About (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine

(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine (PubChem CID 155082561) has the molecular formula C₁₈H₃₁F₄N and a molecular weight of 337.45 g/mol. Its IUPAC name is (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine.

Molecular Properties

• Compound Name: (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
• PubChem CID: 155082561
• Molecular Formula: C₁₈H₃₁F₄N
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.24
• IUPAC Name: (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine
• SMILES: C/C(=C/C(F)(F)C(C)C)NCCC(C)C(F)(F)/C=C(\C)C(C)C
• InChI: InChI=1S/C18H31F4N/c1-12(2)14(5)10-18(21,22)15(6)8-9-23-16(7)11-17(19,20)13(3)4/h10-13,15,23H,8-9H2,1-7H3/b14-10+,16-11-
• InChIKey: BKFPAMZXKGVYIF-DECHVDIESA-N
• XLogP: 6.03
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?

The IUPAC name of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine (CID 155082561) is (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine.

What is the SMILES notation for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?

The canonical SMILES for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine is C/C(=C/C(F)(F)C(C)C)NCCC(C)C(F)(F)/C=C(\C)C(C)C.

What is the InChIKey of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?

The InChIKey is BKFPAMZXKGVYIF-DECHVDIESA-N. The full InChI is InChI=1S/C18H31F4N/c1-12(2)14(5)10-18(21,22)15(6)8-9-23-16(7)11-17(19,20)13(3)4/h10-13,15,23H,8-9H2,1-7H3/b14-10+,16-11-.

What are the key properties of (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine?

(E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine has a molecular weight of 337.45 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(Z)-4,4-difluoro-5-methylhex-2-en-2-yl]-4,4-difluoro-3,6,7-trimethyloct-5-en-1-amine is sourced from PubChem (CID 155082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155082561 — identifiers, structure, computed properties (public domain)

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