JCYOEEDOCGOPGF-UHFFFAOYSA-N

C₁₀H₁₃F₈N — CID 121451127

About JCYOEEDOCGOPGF-UHFFFAOYSA-N

JCYOEEDOCGOPGF-UHFFFAOYSA-N (PubChem CID 121451127) has the molecular formula C₁₀H₁₃F₈N and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.

Molecular Properties

• Compound Name: JCYOEEDOCGOPGF-UHFFFAOYSA-N
• PubChem CID: 121451127
• Molecular Formula: C₁₀H₁₃F₈N
• Molecular Weight: 299.21 g/mol
• Exact Mass: 299.09
• IUPAC Name: N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
• SMILES: CC(CCC=C(C(F)(F)F)C(F)(F)F)NCC(F)F
• InChI: InChI=1S/C10H13F8N/c1-6(19-5-8(11)12)3-2-4-7(9(13,14)15)10(16,17)18/h4,6,8,19H,2-3,5H2,1H3
• InChIKey: JCYOEEDOCGOPGF-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.21
LogP ≤ 5	4.06
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 JCYOEEDOCGOPGF-UHFFFAOYSA-N?

The IUPAC name of JCYOEEDOCGOPGF-UHFFFAOYSA-N (CID 121451127) is N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine.

What is the SMILES notation for JCYOEEDOCGOPGF-UHFFFAOYSA-N?

The canonical SMILES for JCYOEEDOCGOPGF-UHFFFAOYSA-N is CC(CCC=C(C(F)(F)F)C(F)(F)F)NCC(F)F.

What is the InChIKey of JCYOEEDOCGOPGF-UHFFFAOYSA-N?

The InChIKey is JCYOEEDOCGOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8N/c1-6(19-5-8(11)12)3-2-4-7(9(13,14)15)10(16,17)18/h4,6,8,19H,2-3,5H2,1H3.

What are the key properties of JCYOEEDOCGOPGF-UHFFFAOYSA-N?

JCYOEEDOCGOPGF-UHFFFAOYSA-N has a molecular weight of 299.21 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for JCYOEEDOCGOPGF-UHFFFAOYSA-N is sourced from PubChem (CID 121451127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121451127 — identifiers, structure, computed properties (public domain)

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