tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane

C74H54F135N13 — CID 159659184

About tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane

tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane (PubChem CID 159659184) has the molecular formula C74H54F135N13 and a molecular weight of 3690.07 g/mol. Its IUPAC name is tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane.

Molecular Properties

• Compound Name: tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane
• PubChem CID: 159659184
• Molecular Formula: C74H54F135N13
• Molecular Weight: 3690.07 g/mol
• Exact Mass: 3689.25
• IUPAC Name: tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane
• SMILES: CF.CF.CF.CF.CF.CF.CN1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)CF)C(F)(F)C1(F)F.CN1C(F)(F)C(F)(F)N(C(F)(F)C(F)C(F)(F)F)C(F)(F)C1(F)F.FC(F)C(F)(F)F.FCC(F)(F)F.FCF.FCF.FCF.FCF.FCF.FCF.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C8H4F14N2.C8H5F13N2.3C7H2F14N2.3C7H2F13N.C2HF5.C2H2F4.6CH2F2.6CH3F/c1-23-5(15,16)7(19,20)24(8(21,22)6(23,17)18)4(13,14)2(9)3(10,11)12;1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)4(12,13)3(10,11)2-9;3*8-1-22-3(11,12)2(9,10)4(13,14)23(7(19,20)21)6(17,18)5(22,15)16;3*8-1-21-6(17,18)3(10,11)2(9,5(14,15)16)4(12,13)7(21,19)20;3-1(4)2(5,6)7;3-1-2(4,5)6;6*2-1-3;6*1-2/h2H,1H3;2H2,1H3;3*1H2;3*1H2;1H;1H2;6*1H2;6*1H3
• InChIKey: MSOPVXDQSOTJAT-UHFFFAOYSA-N
• XLogP: 44.08
• TPSA: 42.12 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3690.07
LogP ≤ 5	44.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane?

The IUPAC name of tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane (CID 159659184) is tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane.

What is the SMILES notation for tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane?

The canonical SMILES for tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane is CF.CF.CF.CF.CF.CF.CN1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)CF)C(F)(F)C1(F)F.CN1C(F)(F)C(F)(F)N(C(F)(F)C(F)C(F)(F)F)C(F)(F)C1(F)F.FC(F)C(F)(F)F.FCC(F)(F)F.FCF.FCF.FCF.FCF.FCF.FCF.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.FCN1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane?

The InChIKey is MSOPVXDQSOTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14N2.C8H5F13N2.3C7H2F14N2.3C7H2F13N.C2HF5.C2H2F4.6CH2F2.6CH3F/c1-23-5(15,16)7(19,20)24(8(21,22)6(23,17)18)4(13,14)2(9)3(10,11)12;1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)4(12,13)3(10,11)2-9;3*8-1-22-3(11,12)2(9,10)4(13,14)23(7(19,20)21)6(17,18)5(22,15)16;3*8-1-21-6(17,18)3(10,11)2(9,5(14,15)16)4(12,13)7(21,19)20;3-1(4)2(5,6)7;3-1-2(4,5)6;6*2-1-3;6*1-2/h2H,1H3;2H2,1H3;3*1H2;3*1H2;1H;1H2;6*1H2;6*1H3.

What are the key properties of tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane?

tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane has a molecular weight of 3690.07 g/mol, XLogP of 44.08, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2,2,3,3,5,5,6,6,7,7-decafluoro-1-(fluoromethyl)-4-(trifluoromethyl)-1,4-diazepane);hexakis(difluoromethane);fluoromethane;tris(2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine);2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)-4-methylpiperazine;2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine;1,1,1,2,2-pentafluoroethane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 159659184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).