2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane

C15H20F21N3O11P6 — CID 167619893

About 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane

2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane (PubChem CID 167619893) has the molecular formula C15H20F21N3O11P6 and a molecular weight of 1003.14 g/mol. Its IUPAC name is 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane.

Molecular Properties

• Compound Name: 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane
• PubChem CID: 167619893
• Molecular Formula: C15H20F21N3O11P6
• Molecular Weight: 1003.14 g/mol
• Exact Mass: 1002.92
• IUPAC Name: 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane
• SMILES: C=CCOP(=O)(F)NP(=O)(F)OCC=C.CP(=O)(F)NP(=O)(F)OCC(F)(F)F.O=P(F)(F)NP(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H3F14NO4P2.C6H11F2NO4P2.C3H6F5NO3P2/c7-3(8,9)1(4(10,11)12)24-27(23,21-26(19,20)22)25-2(5(13,14)15)6(16,17)18;1-3-5-12-14(7,10)9-15(8,11)13-6-4-2;1-13(7,10)9-14(8,11)12-2-3(4,5)6/h1-2H,(H,21,22,23);3-4H,1-2,5-6H2,(H,9,10,11);2H2,1H3,(H,9,10,11)
• InChIKey: MHCNTCZPYOFDND-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 184.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.14
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane?

The IUPAC name of 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane (CID 167619893) is 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane.

What is the SMILES notation for 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane?

The canonical SMILES for 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane is C=CCOP(=O)(F)NP(=O)(F)OCC=C.CP(=O)(F)NP(=O)(F)OCC(F)(F)F.O=P(F)(F)NP(=O)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane?

The InChIKey is MHCNTCZPYOFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F14NO4P2.C6H11F2NO4P2.C3H6F5NO3P2/c7-3(8,9)1(4(10,11)12)24-27(23,21-26(19,20)22)25-2(5(13,14)15)6(16,17)18;1-3-5-12-14(7,10)9-15(8,11)13-6-4-2;1-13(7,10)9-14(8,11)12-2-3(4,5)6/h1-2H,(H,21,22,23);3-4H,1-2,5-6H2,(H,9,10,11);2H2,1H3,(H,9,10,11).

What are the key properties of 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane?

2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane has a molecular weight of 1003.14 g/mol, XLogP of 11.91, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(difluorophosphorylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane;3-[fluoro-[[fluoro(prop-2-enoxy)phosphoryl]amino]phosphoryl]oxyprop-1-ene;1,1,1-trifluoro-2-[fluoro-[[fluoro(methyl)phosphoryl]amino]phosphoryl]oxyethane is sourced from PubChem (CID 167619893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).