bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol

C202H319F33O37S — CID 159289026

IUPACbis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OCC.C=CC(=O)OC.C=COC.C=COC.CC(C)(O)CC1CC2CCC1C2.CC(C)(O)CC1CC2CCC1C2.CC(O)(C1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1CC2)C(F)(F)F.CC(O)(CC1CC2CCC1S2)C(F)(F)F.CC(O)(CC1CCCCC1)C(F)(F)F.OC1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C21H31F3O3.C17H25F3O3.C13H19F3O3.C12H19F3O.3C11H17F3O.2C11H20O.C10H15F3OS.C10H15F3O.C10H17F3O.C8H11F3O.C6H10O2.6C5H8O2.C4H6O2.2C3H6O/c1-12(2)19(25)27-18-15-10-6-4-8-13(15)17(20(3,26)21(22,23)24)14-9-5-7-11-16(14)18;1-10(2)15(21)23-14-9-8-13(16(3,22)17(18,19)20)11-6-4-5-7-12(11)14;1-8(2)11(17)19-10-6-4-9(5-7-10)12(3,18)13(14,15)16;1-11(16,12(13,14)15)7-10-6-8-2-4-9(10)5-3-8;3*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;2*1-11(2,12)7-10-6-8-3-4-9(10)5-8;1-9(14,10(11,12)13)5-6-4-7-2-3-8(6)15-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-4-8-6(7)5(2)3;6*1-4(2)5(6)7-3;1-3-4(5)6-2;2*1-3-4-2/h13-18,26H,1,4-11H2,2-3H3;11-14,22H,1,4-9H2,2-3H3;9-10,18H,1,4-7H2,2-3H3;8-10,16H,2-7H2,1H3;3*7-9,15H,2-6H2,1H3;2*8-10,12H,3-7H2,1-2H3;6-8,14H,2-5H2,1H3;6-8,14H,2-5H2,1H3;8,14H,2-7H2,1H3;5-6,12H,1-4H2;2,4H2,1,3H3;6*1H2,2-3H3;3H,1H2,2H3;2*3H,1H2,2H3
InChIKeyKZWJRAWWJTYDGB-UHFFFAOYSA-N
MW3998.74 g/mol
LogP48.59
Rot. Bonds37

About bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol

bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol (PubChem CID 159289026) has the molecular formula C202H319F33O37S and a molecular weight of 3998.74 g/mol. Its IUPAC name is bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol.

Molecular Properties

Compound Namebis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol
PubChem CID159289026
Molecular FormulaC202H319F33O37S
Molecular Weight3998.74 g/mol
Exact Mass3996.23
IUPAC Namebis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OCC.C=CC(=O)OC.C=COC.C=COC.CC(C)(O)CC1CC2CCC1C2.CC(C)(O)CC1CC2CCC1C2.CC(O)(C1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1CC2)C(F)(F)F.CC(O)(CC1CC2CCC1S2)C(F)(F)F.CC(O)(CC1CCCCC1)C(F)(F)F.OC1(C(F)(F)F)CC2CCC1C2
InChIInChI=1S/C21H31F3O3.C17H25F3O3.C13H19F3O3.C12H19F3O.3C11H17F3O.2C11H20O.C10H15F3OS.C10H15F3O.C10H17F3O.C8H11F3O.C6H10O2.6C5H8O2.C4H6O2.2C3H6O/c1-12(2)19(25)27-18-15-10-6-4-8-13(15)17(20(3,26)21(22,23)24)14-9-5-7-11-16(14)18;1-10(2)15(21)23-14-9-8-13(16(3,22)17(18,19)20)11-6-4-5-7-12(11)14;1-8(2)11(17)19-10-6-4-9(5-7-10)12(3,18)13(14,15)16;1-11(16,12(13,14)15)7-10-6-8-2-4-9(10)5-3-8;3*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;2*1-11(2,12)7-10-6-8-3-4-9(10)5-8;1-9(14,10(11,12)13)5-6-4-7-2-3-8(6)15-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-4-8-6(7)5(2)3;6*1-4(2)5(6)7-3;1-3-4(5)6-2;2*1-3-4-2/h13-18,26H,1,4-11H2,2-3H3;11-14,22H,1,4-9H2,2-3H3;9-10,18H,1,4-7H2,2-3H3;8-10,16H,2-7H2,1H3;3*7-9,15H,2-6H2,1H3;2*8-10,12H,3-7H2,1-2H3;6-8,14H,2-5H2,1H3;6-8,14H,2-5H2,1H3;8,14H,2-7H2,1H3;5-6,12H,1-4H2;2,4H2,1,3H3;6*1H2,2-3H3;3H,1H2,2H3;2*3H,1H2,2H3
InChIKeyKZWJRAWWJTYDGB-UHFFFAOYSA-N
XLogP48.59
TPSA570.75 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms273
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003998.74
LogP ≤ 548.59
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The IUPAC name of bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol (CID 159289026) is bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol.
What is the SMILES notation for bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The canonical SMILES for bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.C=C(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OCC.C=CC(=O)OC.C=COC.C=COC.CC(C)(O)CC1CC2CCC1C2.CC(C)(O)CC1CC2CCC1C2.CC(O)(C1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CC(O)(CC1CC2CCC1CC2)C(F)(F)F.CC(O)(CC1CC2CCC1S2)C(F)(F)F.CC(O)(CC1CCCCC1)C(F)(F)F.OC1(C(F)(F)F)CC2CCC1C2.
What is the InChIKey of bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
The InChIKey is KZWJRAWWJTYDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3O3.C17H25F3O3.C13H19F3O3.C12H19F3O.3C11H17F3O.2C11H20O.C10H15F3OS.C10H15F3O.C10H17F3O.C8H11F3O.C6H10O2.6C5H8O2.C4H6O2.2C3H6O/c1-12(2)19(25)27-18-15-10-6-4-8-13(15)17(20(3,26)21(22,23)24)14-9-5-7-11-16(14)18;1-10(2)15(21)23-14-9-8-13(16(3,22)17(18,19)20)11-6-4-5-7-12(11)14;1-8(2)11(17)19-10-6-4-9(5-7-10)12(3,18)13(14,15)16;1-11(16,12(13,14)15)7-10-6-8-2-4-9(10)5-3-8;3*1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;2*1-11(2,12)7-10-6-8-3-4-9(10)5-8;1-9(14,10(11,12)13)5-6-4-7-2-3-8(6)15-7;1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-4-8-6(7)5(2)3;6*1-4(2)5(6)7-3;1-3-4(5)6-2;2*1-3-4-2/h13-18,26H,1,4-11H2,2-3H3;11-14,22H,1,4-9H2,2-3H3;9-10,18H,1,4-7H2,2-3H3;8-10,16H,2-7H2,1H3;3*7-9,15H,2-6H2,1H3;2*8-10,12H,3-7H2,1-2H3;6-8,14H,2-5H2,1H3;6-8,14H,2-5H2,1H3;8,14H,2-7H2,1H3;5-6,12H,1-4H2;2,4H2,1,3H3;6*1H2,2-3H3;3H,1H2,2H3;2*3H,1H2,2H3.
What are the key properties of bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol?
bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol has a molecular weight of 3998.74 g/mol, XLogP of 48.59, 37 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol);tris(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;3-(2-bicyclo[2.2.2]octanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;3-cyclohexyl-1,1,1-trifluoro-2-methylpropan-2-ol;ethyl 2-methylprop-2-enoate;methoxyethene;hexakis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol;1,1,1-trifluoro-2-methyl-3-(7-thiabicyclo[2.2.1]heptan-2-yl)propan-2-ol is sourced from PubChem (CID 159289026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).