2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol

C28H18F40O13 — CID 59628167

About 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol

2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol (PubChem CID 59628167) has the molecular formula C28H18F40O13 and a molecular weight of 1322.36 g/mol. Its IUPAC name is 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol.

Molecular Properties

• Compound Name: 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol
• PubChem CID: 59628167
• Molecular Formula: C28H18F40O13
• Molecular Weight: 1322.36 g/mol
• Exact Mass: 1322.01
• IUPAC Name: 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol
• SMILES: OCC(F)(OC(F)(F)C(C(F)(F)OC(F)(F)C(C(F)(F)OC(F)(CO)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C28H18F40O13/c29-7(1-69,15(35,36)37)75-21(53,54)13(22(55,56)76-8(30,2-70)16(38,39)40,23(57,58)77-9(31,3-71)17(41,42)43)27(65,66)81-28(67,68)14(24(59,60)78-10(32,4-72)18(44,45)46,25(61,62)79-11(33,5-73)19(47,48)49)26(63,64)80-12(34,6-74)20(50,51)52/h69-74H,1-6H2
• InChIKey: VOPJBXJQDIHFRF-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 185.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1322.36
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol?

The IUPAC name of 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol (CID 59628167) is 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol.

What is the SMILES notation for 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol?

The canonical SMILES for 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol is OCC(F)(OC(F)(F)C(C(F)(F)OC(F)(F)C(C(F)(F)OC(F)(CO)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol?

The InChIKey is VOPJBXJQDIHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F40O13/c29-7(1-69,15(35,36)37)75-21(53,54)13(22(55,56)76-8(30,2-70)16(38,39)40,23(57,58)77-9(31,3-71)17(41,42)43)27(65,66)81-28(67,68)14(24(59,60)78-10(32,4-72)18(44,45)46,25(61,62)79-11(33,5-73)19(47,48)49)26(63,64)80-12(34,6-74)20(50,51)52/h69-74H,1-6H2.

What are the key properties of 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol?

2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol has a molecular weight of 1322.36 g/mol, XLogP of 9.14, 28 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2,2-bis[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-difluoromethyl]-2-[difluoro-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(1,1,1,2-tetrafluoro-3-hydroxypropan-2-yl)oxypropoxy]-2,3,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 59628167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).