2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol

C99H119F63O12 — CID 91114800

IUPAC2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC1C2CC(C1C)C(F)(CC(OC(C)(C)C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OCOC1CC3CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C3)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(CC(OCOC3CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C3)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C28H33F19O3.C26H30F18O4.C25H31F13O3.C20H25F13O2/c1-11-12(2)17-5-13(11)9-19(17,29)10-20(23(30,31)32,24(33,34)35)50-18(3,4)14-6-15(21(48,25(36,37)38)26(39,40)41)8-16(7-14)22(49,27(42,43)44)28(45,46)47;1-10-11(2)17-4-12(10)3-13(17)8-18(21(27,28)29,22(30,31)32)48-9-47-16-6-14(19(45,23(33,34)35)24(36,37)38)5-15(7-16)20(46,25(39,40)41)26(42,43)44;1-11-12(2)17-6-14(11)7-19(17,26)9-21(24(33,34)35,25(36,37)38)41-10-40-18-5-13-3-15(16(18)4-13)8-20(39,22(27,28)29)23(30,31)32;1-9-10(2)12-5-11(9)6-14(12,21)8-16(19(28,29)30,20(31,32)33)35-13(3,4)7-15(34,17(22,23)24)18(25,26)27/h11-17,48-49H,5-10H2,1-4H3;10-17,45-46H,3-9H2,1-2H3;11-18,39H,3-10H2,1-2H3;9-12,34H,5-8H2,1-4H3
InChIKeyBYFHOZDOGSKDCC-UHFFFAOYSA-N
MW2697.90 g/mol
LogP33.67
Rot. Bonds29

About 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol

2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol (PubChem CID 91114800) has the molecular formula C99H119F63O12 and a molecular weight of 2697.90 g/mol. Its IUPAC name is 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol
PubChem CID91114800
Molecular FormulaC99H119F63O12
Molecular Weight2697.90 g/mol
Exact Mass2696.77
IUPAC Name2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol
SMILESCC1C2CC(C1C)C(F)(CC(OC(C)(C)C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OCOC1CC3CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C3)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(CC(OCOC3CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C3)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C28H33F19O3.C26H30F18O4.C25H31F13O3.C20H25F13O2/c1-11-12(2)17-5-13(11)9-19(17,29)10-20(23(30,31)32,24(33,34)35)50-18(3,4)14-6-15(21(48,25(36,37)38)26(39,40)41)8-16(7-14)22(49,27(42,43)44)28(45,46)47;1-10-11(2)17-4-12(10)3-13(17)8-18(21(27,28)29,22(30,31)32)48-9-47-16-6-14(19(45,23(33,34)35)24(36,37)38)5-15(7-16)20(46,25(39,40)41)26(42,43)44;1-11-12(2)17-6-14(11)7-19(17,26)9-21(24(33,34)35,25(36,37)38)41-10-40-18-5-13-3-15(16(18)4-13)8-20(39,22(27,28)29)23(30,31)32;1-9-10(2)12-5-11(9)6-14(12,21)8-16(19(28,29)30,20(31,32)33)35-13(3,4)7-15(34,17(22,23)24)18(25,26)27/h11-17,48-49H,5-10H2,1-4H3;10-17,45-46H,3-9H2,1-2H3;11-18,39H,3-10H2,1-2H3;9-12,34H,5-8H2,1-4H3
InChIKeyBYFHOZDOGSKDCC-UHFFFAOYSA-N
XLogP33.67
TPSA176.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002697.90
LogP ≤ 533.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol (CID 91114800) is 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol is CC1C2CC(C1C)C(F)(CC(OC(C)(C)C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OC(C)(C)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(C1C)C(F)(CC(OCOC1CC3CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C3)(C(F)(F)F)C(F)(F)F)C2.CC1C2CC(CC(OCOC3CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C3)(C(F)(F)F)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is BYFHOZDOGSKDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F19O3.C26H30F18O4.C25H31F13O3.C20H25F13O2/c1-11-12(2)17-5-13(11)9-19(17,29)10-20(23(30,31)32,24(33,34)35)50-18(3,4)14-6-15(21(48,25(36,37)38)26(39,40)41)8-16(7-14)22(49,27(42,43)44)28(45,46)47;1-10-11(2)17-4-12(10)3-13(17)8-18(21(27,28)29,22(30,31)32)48-9-47-16-6-14(19(45,23(33,34)35)24(36,37)38)5-15(7-16)20(46,25(39,40)41)26(42,43)44;1-11-12(2)17-6-14(11)7-19(17,26)9-21(24(33,34)35,25(36,37)38)41-10-40-18-5-13-3-15(16(18)4-13)8-20(39,22(27,28)29)23(30,31)32;1-9-10(2)12-5-11(9)6-14(12,21)8-16(19(28,29)30,20(31,32)33)35-13(3,4)7-15(34,17(22,23)24)18(25,26)27/h11-17,48-49H,5-10H2,1-4H3;10-17,45-46H,3-9H2,1-2H3;11-18,39H,3-10H2,1-2H3;9-12,34H,5-8H2,1-4H3.
What are the key properties of 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol?
2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 2697.90 g/mol, XLogP of 33.67, 29 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[6-[[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxymethoxy]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-[2-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxypropan-2-yl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol;1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 91114800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).