2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane

C9H7F14O4P — CID 166519573

About 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane

2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane (PubChem CID 166519573) has the molecular formula C9H7F14O4P and a molecular weight of 476.10 g/mol. Its IUPAC name is 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

• Compound Name: 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane
• PubChem CID: 166519573
• Molecular Formula: C9H7F14O4P
• Molecular Weight: 476.10 g/mol
• Exact Mass: 475.99
• IUPAC Name: 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane
• SMILES: O=P(F)(F)OC(COC(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C9H7F14O4P/c10-6(11,12)4(7(13,14)15)25-1-3(27-28(22,23)24)2-26-5(8(16,17)18)9(19,20)21/h3-5H,1-2H2
• InChIKey: DSXLHZBYSMTVPW-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.10
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane?

The IUPAC name of 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane (CID 166519573) is 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane.

What is the SMILES notation for 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane?

The canonical SMILES for 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane is O=P(F)(F)OC(COC(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane?

The InChIKey is DSXLHZBYSMTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F14O4P/c10-6(11,12)4(7(13,14)15)25-1-3(27-28(22,23)24)2-26-5(8(16,17)18)9(19,20)21/h3-5H,1-2H2.

What are the key properties of 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane?

2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 476.10 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 166519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).