4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one

C₇H₆F₄O₄ — CID 153312354

About 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one

4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312354) has the molecular formula C₇H₆F₄O₄ and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

• Compound Name: 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one
• PubChem CID: 153312354
• Molecular Formula: C₇H₆F₄O₄
• Molecular Weight: 230.11 g/mol
• Exact Mass: 230.02
• IUPAC Name: 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one
• SMILES: CC(F)(F)C(F)(F)OCc1coc(=O)o1
• InChI: InChI=1S/C7H6F4O4/c1-6(8,9)7(10,11)14-3-4-2-13-5(12)15-4/h2H,3H2,1H3
• InChIKey: NXWMNWVMJDNHAZ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 52.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.11
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?

The IUPAC name of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one (CID 153312354) is 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one.

What is the SMILES notation for 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?

The canonical SMILES for 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one is CC(F)(F)C(F)(F)OCc1coc(=O)o1.

What is the InChIKey of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?

The InChIKey is NXWMNWVMJDNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O4/c1-6(8,9)7(10,11)14-3-4-2-13-5(12)15-4/h2H,3H2,1H3.

What are the key properties of 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one?

4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one has a molecular weight of 230.11 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1,2,2-tetrafluoropropoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153312354 — identifiers, structure, computed properties (public domain)

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