Isoflurophate

C₆H₁₄FO₃P — CID 5936

About Isoflurophate

Isoflurophate (PubChem CID 5936) has the molecular formula C₆H₁₄FO₃P and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

• Compound Name: Isoflurophate
• PubChem CID: 5936
• Molecular Formula: C₆H₁₄FO₃P
• Molecular Weight: 184.15 g/mol
• Exact Mass: 184.07
• IUPAC Name: 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
• SMILES: CC(C)OP(=O)(F)OC(C)C
• InChI: InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
• InChIKey: MUCZHBLJLSDCSD-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.15
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Isoflurophate?

The IUPAC name of Isoflurophate (CID 5936) is 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.

What is the SMILES notation for Isoflurophate?

The canonical SMILES for Isoflurophate is CC(C)OP(=O)(F)OC(C)C.

What is the InChIKey of Isoflurophate?

The InChIKey is MUCZHBLJLSDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3.

What are the key properties of Isoflurophate?

Isoflurophate has a molecular weight of 184.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Isoflurophate is sourced from PubChem (CID 5936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5936 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1494 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.