1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate

C142H161F87O20 — CID 90989979

IUPAC1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C1CC(C)(C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C(=O)OC(C)(C)C)(C(F)(F)F)C2.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(OC)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c1.CCC(CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(OO)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.COCOC(C1CCC(C(OC(=O)C(C)(CC2C(C)C3CC2C(C(=O)OC)(C(F)(F)F)C3)C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C33H40F18O4.C31H36F18O5.C30H33F21O3.C30H34F18O6.C18H18F12O2/c1-4-26(31(43,44)45,21(55-53)25-12-16-9-17(13-25)11-18(10-16)14-25)15-23(2,28(34,35)36)22(52)54-27(32(46,47)48,33(49,50)51)20-7-5-19(6-8-20)24(3,29(37,38)39)30(40,41)42;1-13-14-10-18(23(11-14,27(35,36)37)20(51)53-21(2,3)4)17(13)12-22(5,26(32,33)34)19(50)54-25(30(44,45)46,31(47,48)49)16-8-6-15(7-9-16)24(52,28(38,39)40)29(41,42)43;1-12-13-8-14(10-22(53,27(40,41)42)28(43,44)45)17(9-13)18(12)11-20(2,24(31,32)33)19(52)54-23(29(46,47)48,30(49,50)51)16-6-4-15(5-7-16)21(3,25(34,35)36)26(37,38)39;1-13-14-9-18(22(10-14,20(50)52-4)26(34,35)36)17(13)11-21(2,25(31,32)33)19(49)54-24(29(43,44)45,30(46,47)48)16-7-5-15(6-8-16)23(27(37,38)39,28(40,41)42)53-12-51-3;1-5-9(2)10-6-11(13(31-3,15(19,20)21)16(22,23)24)8-12(7-10)14(32-4,17(25,26)27)18(28,29)30/h16-21,53H,4-15H2,1-3H3;13-18,52H,6-12H2,1-5H3;12-18,53H,4-11H2,1-3H3;13-18H,5-12H2,1-4H3;6-9H,5H2,1-4H3
InChIKeyOPWJNTWEWWFNBV-UHFFFAOYSA-N
MW3840.66 g/mol
LogP50.75
Rot. Bonds41

About 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate

1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 90989979) has the molecular formula C142H161F87O20 and a molecular weight of 3840.66 g/mol. Its IUPAC name is 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID90989979
Molecular FormulaC142H161F87O20
Molecular Weight3840.66 g/mol
Exact Mass3839.02
IUPAC Name1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C1CC(C)(C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C(=O)OC(C)(C)C)(C(F)(F)F)C2.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(OC)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c1.CCC(CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(OO)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.COCOC(C1CCC(C(OC(=O)C(C)(CC2C(C)C3CC2C(C(=O)OC)(C(F)(F)F)C3)C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C33H40F18O4.C31H36F18O5.C30H33F21O3.C30H34F18O6.C18H18F12O2/c1-4-26(31(43,44)45,21(55-53)25-12-16-9-17(13-25)11-18(10-16)14-25)15-23(2,28(34,35)36)22(52)54-27(32(46,47)48,33(49,50)51)20-7-5-19(6-8-20)24(3,29(37,38)39)30(40,41)42;1-13-14-10-18(23(11-14,27(35,36)37)20(51)53-21(2,3)4)17(13)12-22(5,26(32,33)34)19(50)54-25(30(44,45)46,31(47,48)49)16-8-6-15(7-9-16)24(52,28(38,39)40)29(41,42)43;1-12-13-8-14(10-22(53,27(40,41)42)28(43,44)45)17(9-13)18(12)11-20(2,24(31,32)33)19(52)54-23(29(46,47)48,30(49,50)51)16-6-4-15(5-7-16)21(3,25(34,35)36)26(37,38)39;1-13-14-9-18(22(10-14,20(50)52-4)26(34,35)36)17(13)11-21(2,25(31,32)33)19(49)54-24(29(43,44)45,30(46,47)48)16-7-5-15(6-8-16)23(27(37,38)39,28(40,41)42)53-12-51-3;1-5-9(2)10-6-11(13(31-3,15(19,20)21)16(22,23)24)8-12(7-10)14(32-4,17(25,26)27)18(28,29)30/h16-21,53H,4-15H2,1-3H3;13-18,52H,6-12H2,1-5H3;12-18,53H,4-11H2,1-3H3;13-18H,5-12H2,1-4H3;6-9H,5H2,1-4H3
InChIKeyOPWJNTWEWWFNBV-UHFFFAOYSA-N
XLogP50.75
TPSA264.64 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003840.66
LogP ≤ 550.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[4-[1-adamantyl(hydroperoxy)methyl]-1,1,1-trifluoro-2-methyl-4-(trifluoromethyl)hexan-2-yl] 3,3,3-trifluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]-2-(trifluoromethyl)propanoate;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-[[6-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-3,3,3-trifluoro-2-methylpropanoate
CID 91157683
tert-butyl 6-(2-cyano-2-methylpropyl)-5-methyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 5-methyl-6-[3-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 5-methyl-6-(3,3,3-trifluoro-2-methoxycarbonyl-2-methylpropyl)-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 5-methyl-2-(trifluoromethyl)-6-[3,3,3-trifluoro-2-methyl-2-[(2-methyl-2-adamantyl)oxycarbonyl]propyl]bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;2-[[6-[5-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-5-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[5-methyl-6-[3-methyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;methane;(2-methyl-2-adamantyl) 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate
CID 161276864
tert-butyl 6-[[5,6-dimethyl-2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 91197110
[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate;methane
CID 161095704
1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
CID 91445240
tert-butyl 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91081182
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate
CID 91393952
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;5,6-dimethyl-N-methylsulfonylbicyclo[2.2.1]heptane-2-carboxamide;2,2-dimethyl-N-methylsulfonylbutanamide;5,6-dimethyl-N-(trifluoromethylsulfonyl)bicyclo[2.2.1]heptane-2-carboxamide;methane;methyl 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
CID 159266895
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;butan-2-ylbenzene;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl-trimethylsilane;2-(4-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate;bis(3-trimethylsilylpropyl 2,2-dimethylbutanoate)
CID 161217410
2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(4-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;[3-methyl-5-(trifluoromethyl)phenyl] 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);1,3,4-trimethylpyrrolidine-2,5-dione
CID 158591851
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;butane;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,3-dimethyl-5-(trifluoromethyl)bicyclo[2.2.1]heptane;methyl 2,2-dimethylbutanoate;methyl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;2,2,4,5-tetramethyl-1,3-dioxolane;2,2,2-trifluoroethyl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoropropan-2-yl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 159871355
1-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]adamantane;1-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]adamantane;methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 91598857

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate (CID 90989979) is 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C1CC(C)(C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C(=O)OC(C)(C)C)(C(F)(F)F)C2.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(OC)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c1.CCC(CC(C)(C(=O)OC(C1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(OO)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.COCOC(C1CCC(C(OC(=O)C(C)(CC2C(C)C3CC2C(C(=O)OC)(C(F)(F)F)C3)C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is OPWJNTWEWWFNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F18O4.C31H36F18O5.C30H33F21O3.C30H34F18O6.C18H18F12O2/c1-4-26(31(43,44)45,21(55-53)25-12-16-9-17(13-25)11-18(10-16)14-25)15-23(2,28(34,35)36)22(52)54-27(32(46,47)48,33(49,50)51)20-7-5-19(6-8-20)24(3,29(37,38)39)30(40,41)42;1-13-14-10-18(23(11-14,27(35,36)37)20(51)53-21(2,3)4)17(13)12-22(5,26(32,33)34)19(50)54-25(30(44,45)46,31(47,48)49)16-8-6-15(7-9-16)24(52,28(38,39)40)29(41,42)43;1-12-13-8-14(10-22(53,27(40,41)42)28(43,44)45)17(9-13)18(12)11-20(2,24(31,32)33)19(52)54-23(29(46,47)48,30(49,50)51)16-6-4-15(5-7-16)21(3,25(34,35)36)26(37,38)39;1-13-14-9-18(22(10-14,20(50)52-4)26(34,35)36)17(13)11-21(2,25(31,32)33)19(49)54-24(29(43,44)45,30(46,47)48)16-7-5-15(6-8-16)23(27(37,38)39,28(40,41)42)53-12-51-3;1-5-9(2)10-6-11(13(31-3,15(19,20)21)16(22,23)24)8-12(7-10)14(32-4,17(25,26)27)18(28,29)30/h16-21,53H,4-15H2,1-3H3;13-18,52H,6-12H2,1-5H3;12-18,53H,4-11H2,1-3H3;13-18H,5-12H2,1-4H3;6-9H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 3840.66 g/mol, XLogP of 50.75, 41 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene;tert-butyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 4-[1-adamantyl(hydroperoxy)methyl]-2-methyl-2,4-bis(trifluoromethyl)hexanoate;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-yl] 3,3,3-trifluoro-2-methyl-2-[[3-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propanoate;methyl 5-methyl-6-[3,3,3-trifluoro-2-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]oxycarbonyl-2-methylpropyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 90989979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).