hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate

C8H2F16O8P2-2 — CID 58616420

About hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate

hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate (PubChem CID 58616420) has the molecular formula C8H2F16O8P2-2 and a molecular weight of 592.01 g/mol. Its IUPAC name is hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate.

Molecular Properties

• Compound Name: hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate
• PubChem CID: 58616420
• Molecular Formula: C8H2F16O8P2-2
• Molecular Weight: 592.01 g/mol
• Exact Mass: 591.90
• IUPAC Name: hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate
• SMILES: O=P([O-])(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)P(=O)([O-])O
• InChI: InChI=1S/C8H4F16O8P2/c9-1(10,3(13,14)31-5(17,18)7(21,22)33(25,26)27)2(11,12)4(15,16)32-6(19,20)8(23,24)34(28,29)30/h(H2,25,26,27)(H2,28,29,30)/p-2
• InChIKey: FJSFUPPGTGEUJO-UHFFFAOYSA-L
• XLogP: 2.94
• TPSA: 139.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.01
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate?

The IUPAC name of hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate (CID 58616420) is hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate.

What is the SMILES notation for hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate?

The canonical SMILES for hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate is O=P([O-])(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)P(=O)([O-])O.

What is the InChIKey of hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate?

The InChIKey is FJSFUPPGTGEUJO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4F16O8P2/c9-1(10,3(13,14)31-5(17,18)7(21,22)33(25,26)27)2(11,12)4(15,16)32-6(19,20)8(23,24)34(28,29)30/h(H2,25,26,27)(H2,28,29,30)/p-2.

What are the key properties of hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate?

hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate has a molecular weight of 592.01 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for hydroxy-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2-tetrafluoro-2-[hydroxy(oxido)phosphoryl]ethoxy]butoxy]ethyl]phosphinate is sourced from PubChem (CID 58616420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).