QGWYFCCLVVCGDM-UHFFFAOYSA-N

C₉H₁₁F₅O₂ — CID 151583021

About QGWYFCCLVVCGDM-UHFFFAOYSA-N

QGWYFCCLVVCGDM-UHFFFAOYSA-N (PubChem CID 151583021) has the molecular formula C₉H₁₁F₅O₂ and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.

Molecular Properties

• Compound Name: QGWYFCCLVVCGDM-UHFFFAOYSA-N
• PubChem CID: 151583021
• Molecular Formula: C₉H₁₁F₅O₂
• Molecular Weight: 246.17 g/mol
• Exact Mass: 246.07
• IUPAC Name: 2-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
• SMILES: CC=COCC1(C(F)(F)C(F)(F)F)CCO1
• InChI: InChI=1S/C9H11F5O2/c1-2-4-15-6-7(3-5-16-7)8(10,11)9(12,13)14/h2,4H,3,5-6H2,1H3
• InChIKey: QGWYFCCLVVCGDM-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.17
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of QGWYFCCLVVCGDM-UHFFFAOYSA-N (CID 151583021) is 2-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.

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

The canonical SMILES for QGWYFCCLVVCGDM-UHFFFAOYSA-N is CC=COCC1(C(F)(F)C(F)(F)F)CCO1.

What is the InChIKey of QGWYFCCLVVCGDM-UHFFFAOYSA-N?

The InChIKey is QGWYFCCLVVCGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c1-2-4-15-6-7(3-5-16-7)8(10,11)9(12,13)14/h2,4H,3,5-6H2,1H3.

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

QGWYFCCLVVCGDM-UHFFFAOYSA-N has a molecular weight of 246.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for QGWYFCCLVVCGDM-UHFFFAOYSA-N is sourced from PubChem (CID 151583021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151583021 — identifiers, structure, computed properties (public domain)

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