bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate

C193H318F44O29Si — CID 157113920

IUPACbis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate
SMILESCC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)c1ccccc1.CCC(C)C1CCCCC1.CCC(C)OC1CCCCC1.CCC(C)c1c(F)c(F)c(F)c(F)c1F.CCC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/2C18H25F9O4.C17H24F6O3.C15H28O2.C13H21F3O.C13H24O2.C12H26O2Si.C11H16.C10H9F5.C10H17F3O2.C10H20O2.C10H20O.C10H20.2C9H15F3O2.C8H13F3O2/c2*1-5-13(2,16(19,20)21)12(28)31-11-7-9(14(3,29)17(22,23)24)6-10(8-11)15(4,30)18(25,26)27;1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-4-11(2,3)10-8-6-5-7-9-10;1-3-4(2)5-6(11)8(13)10(15)9(14)7(5)12;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)11-10-7-5-4-6-8-10;1-3-9(2)10-7-5-4-6-8-10;2*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-7(2,3)6(12)13-5-8(9,10)11/h2*9-11,29-30H,5-8H2,1-4H3;9-12,25H,4-8H2,1-3H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-10H2,1-4H3;7-10H2,1-6H3;5-9H,4H2,1-3H3;4H,3H2,1-2H3;6H2,1-5H3;7H2,1-6H3;9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;2*6H,5H2,1-4H3;4-5H2,1-3H3
InChIKeyAHDYZSFBGYHSLV-UHFFFAOYSA-N
MW3966.64 g/mol
LogP58.24
Rot. Bonds53

About bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate

bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate (PubChem CID 157113920) has the molecular formula C193H318F44O29Si and a molecular weight of 3966.64 g/mol. Its IUPAC name is bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namebis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate
PubChem CID157113920
Molecular FormulaC193H318F44O29Si
Molecular Weight3966.64 g/mol
Exact Mass3964.25
IUPAC Namebis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate
SMILESCC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)c1ccccc1.CCC(C)C1CCCCC1.CCC(C)OC1CCCCC1.CCC(C)c1c(F)c(F)c(F)c(F)c1F.CCC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/2C18H25F9O4.C17H24F6O3.C15H28O2.C13H21F3O.C13H24O2.C12H26O2Si.C11H16.C10H9F5.C10H17F3O2.C10H20O2.C10H20O.C10H20.2C9H15F3O2.C8H13F3O2/c2*1-5-13(2,16(19,20)21)12(28)31-11-7-9(14(3,29)17(22,23)24)6-10(8-11)15(4,30)18(25,26)27;1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-4-11(2,3)10-8-6-5-7-9-10;1-3-4(2)5-6(11)8(13)10(15)9(14)7(5)12;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)11-10-7-5-4-6-8-10;1-3-9(2)10-7-5-4-6-8-10;2*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-7(2,3)6(12)13-5-8(9,10)11/h2*9-11,29-30H,5-8H2,1-4H3;9-12,25H,4-8H2,1-3H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-10H2,1-4H3;7-10H2,1-6H3;5-9H,4H2,1-3H3;4H,3H2,1-2H3;6H2,1-5H3;7H2,1-6H3;9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;2*6H,5H2,1-4H3;4-5H2,1-3H3
InChIKeyAHDYZSFBGYHSLV-UHFFFAOYSA-N
XLogP58.24
TPSA419.91 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds53
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003966.64
LogP ≤ 558.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate?
The IUPAC name of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate (CID 157113920) is bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate.
What is the SMILES notation for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate?
The canonical SMILES for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate is CC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC2CC(CC(C)(O)C(F)(F)F)C1C2)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(F)(F)F.CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)c1ccccc1.CCC(C)C1CCCCC1.CCC(C)OC1CCCCC1.CCC(C)c1c(F)c(F)c(F)c(F)c1F.CCC1(OC(=O)C(C)(C)CC)CCCC1.
What is the InChIKey of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate?
The InChIKey is AHDYZSFBGYHSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H25F9O4.C17H24F6O3.C15H28O2.C13H21F3O.C13H24O2.C12H26O2Si.C11H16.C10H9F5.C10H17F3O2.C10H20O2.C10H20O.C10H20.2C9H15F3O2.C8H13F3O2/c2*1-5-13(2,16(19,20)21)12(28)31-11-7-9(14(3,29)17(22,23)24)6-10(8-11)15(4,30)18(25,26)27;1-4-14(2,16(18,19)20)13(24)26-12-7-9-5-10(11(12)6-9)8-15(3,25)17(21,22)23;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-4-11(2,3)10-8-6-5-7-9-10;1-3-4(2)5-6(11)8(13)10(15)9(14)7(5)12;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)11-10-7-5-4-6-8-10;1-3-9(2)10-7-5-4-6-8-10;2*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-7(2,3)6(12)13-5-8(9,10)11/h2*9-11,29-30H,5-8H2,1-4H3;9-12,25H,4-8H2,1-3H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-10H2,1-4H3;7-10H2,1-6H3;5-9H,4H2,1-3H3;4H,3H2,1-2H3;6H2,1-5H3;7H2,1-6H3;9-10H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;2*6H,5H2,1-4H3;4-5H2,1-3H3.
What are the key properties of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate?
bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate has a molecular weight of 3966.64 g/mol, XLogP of 58.24, 53 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-ylcyclohexane;butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-methylbutan-2-ylbenzene;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);3-trimethylsilylpropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157113920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).