1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane

C40F82O — CID 139798161

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane (PubChem CID 139798161) has the molecular formula C40F82O and a molecular weight of 2054.28 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane
• PubChem CID: 139798161
• Molecular Formula: C40F82O
• Molecular Weight: 2054.28 g/mol
• Exact Mass: 2053.86
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C40F82O/c41-3(42,9(53,54)13(61,62)17(69,70)21(77,78)25(85,86)29(93,94)33(101,102)39(117,118)119)1(7(49,50)35(105,106)107,5(45,46)11(57,58)15(65,66)19(73,74)23(81,82)27(89,90)31(97,98)37(111,112)113)123-2(8(51,52)36(108,109)110,6(47,48)12(59,60)16(67,68)20(75,76)24(83,84)28(91,92)32(99,100)38(114,115)116)4(43,44)10(55,56)14(63,64)18(71,72)22(79,80)26(87,88)30(95,96)34(103,104)40(120,121)122
• InChIKey: OSCKJEBDNFVBLE-UHFFFAOYSA-N
• XLogP: 26.18
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 34
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2054.28
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane (CID 139798161) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane.

What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane?

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane?

The InChIKey is OSCKJEBDNFVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40F82O/c41-3(42,9(53,54)13(61,62)17(69,70)21(77,78)25(85,86)29(93,94)33(101,102)39(117,118)119)1(7(49,50)35(105,106)107,5(45,46)11(57,58)15(65,66)19(73,74)23(81,82)27(89,90)31(97,98)37(111,112)113)123-2(8(51,52)36(108,109)110,6(47,48)12(59,60)16(67,68)20(75,76)24(83,84)28(91,92)32(99,100)38(114,115)116)4(43,44)10(55,56)14(63,64)18(71,72)22(79,80)26(87,88)30(95,96)34(103,104)40(120,121)122.

What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane?

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane has a molecular weight of 2054.28 g/mol, XLogP of 26.18, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-10-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-hexatriacontafluoro-9-(1,1,2,2,2-pentafluoroethyl)octadecan-9-yl]oxy-10-(1,1,2,2,2-pentafluoroethyl)octadecane is sourced from PubChem (CID 139798161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).