8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane

C36F74O — CID 139798164

About 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane

8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane (PubChem CID 139798164) has the molecular formula C36F74O and a molecular weight of 1854.25 g/mol. Its IUPAC name is 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane.

Molecular Properties

• Compound Name: 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane
• PubChem CID: 139798164
• Molecular Formula: C36F74O
• Molecular Weight: 1854.25 g/mol
• Exact Mass: 1853.88
• IUPAC Name: 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane
• 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(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)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)F
• InChI: InChI=1S/C36F74O/c37-3(38,9(49,50)13(57,58)17(65,66)21(73,74)25(81,82)29(89,90)35(105,106)107)1(7(45,46)31(93,94)95,5(41,42)11(53,54)15(61,62)19(69,70)23(77,78)27(85,86)33(99,100)101)111-2(8(47,48)32(96,97)98,6(43,44)12(55,56)16(63,64)20(71,72)24(79,80)28(87,88)34(102,103)104)4(39,40)10(51,52)14(59,60)18(67,68)22(75,76)26(83,84)30(91,92)36(108,109)110
• InChIKey: XIJFXBDSOVFLMS-UHFFFAOYSA-N
• XLogP: 23.64
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 30
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1854.25
LogP ≤ 5	23.64
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 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane?

The IUPAC name of 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane (CID 139798164) is 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane.

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

The canonical SMILES for 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane 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(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)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)F.

What is the InChIKey of 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane?

The InChIKey is XIJFXBDSOVFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36F74O/c37-3(38,9(49,50)13(57,58)17(65,66)21(73,74)25(81,82)29(89,90)35(105,106)107)1(7(45,46)31(93,94)95,5(41,42)11(53,54)15(61,62)19(69,70)23(77,78)27(85,86)33(99,100)101)111-2(8(47,48)32(96,97)98,6(43,44)12(55,56)16(63,64)20(71,72)24(79,80)28(87,88)34(102,103)104)4(39,40)10(51,52)14(59,60)18(67,68)22(75,76)26(83,84)30(91,92)36(108,109)110.

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

8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane has a molecular weight of 1854.25 g/mol, XLogP of 23.64, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecan-8-yl]oxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluoro-8-(1,1,2,2,2-pentafluoroethyl)hexadecane is sourced from PubChem (CID 139798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).