OFRZIYLZDBFWFE-UHFFFAOYSA-N

C₁₃H₂₁F₅O₂ — CID 159980517

About OFRZIYLZDBFWFE-UHFFFAOYSA-N

OFRZIYLZDBFWFE-UHFFFAOYSA-N (PubChem CID 159980517) has the molecular formula C₁₃H₂₁F₅O₂ and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-(2,2,3,3,3-pentafluoropropyl)oxirane;2-methylprop-1-ene.

Molecular Properties

• Compound Name: OFRZIYLZDBFWFE-UHFFFAOYSA-N
• PubChem CID: 159980517
• Molecular Formula: C₁₃H₂₁F₅O₂
• Molecular Weight: 304.30 g/mol
• Exact Mass: 304.15
• IUPAC Name: 2-(2-ethoxyethyl)-3-(2,2,3,3,3-pentafluoropropyl)oxirane;2-methylprop-1-ene
• SMILES: C=C(C)C.CCOCCC1OC1CC(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H13F5O2.C4H8/c1-2-15-4-3-6-7(16-6)5-8(10,11)9(12,13)14;1-4(2)3/h6-7H,2-5H2,1H3;1H2,2-3H3
• InChIKey: OFRZIYLZDBFWFE-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.30
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of OFRZIYLZDBFWFE-UHFFFAOYSA-N?

The IUPAC name of OFRZIYLZDBFWFE-UHFFFAOYSA-N (CID 159980517) is 2-(2-ethoxyethyl)-3-(2,2,3,3,3-pentafluoropropyl)oxirane;2-methylprop-1-ene.

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

The canonical SMILES for OFRZIYLZDBFWFE-UHFFFAOYSA-N is C=C(C)C.CCOCCC1OC1CC(F)(F)C(F)(F)F.

What is the InChIKey of OFRZIYLZDBFWFE-UHFFFAOYSA-N?

The InChIKey is OFRZIYLZDBFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O2.C4H8/c1-2-15-4-3-6-7(16-6)5-8(10,11)9(12,13)14;1-4(2)3/h6-7H,2-5H2,1H3;1H2,2-3H3.

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

OFRZIYLZDBFWFE-UHFFFAOYSA-N has a molecular weight of 304.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for OFRZIYLZDBFWFE-UHFFFAOYSA-N is sourced from PubChem (CID 159980517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159980517 — identifiers, structure, computed properties (public domain)

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