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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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

C155H281F42NO23S — CID 158421153

IUPAC2-(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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(C)(O)C(F)(F)F.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C13H17F3O.C12H21F3O3.C11H14F6O.C11H19F3O3.C10H15NO2S.C8H15F3O.C7H14O2.18CH4/c1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;1-5-9(2)10-6-11(13(3,23)15(17,18)19)8-12(7-10)14(4,24)16(20,21)22;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-6(2)5-7(3,12)8(9,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h10-12,26-27H,6-9H2,1-5H3;11-12,26H,6-10H2,1-5H3;6-9,23-24H,5H2,1-4H3;6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;8,17H,6-7H2,1-5H3;6-8,18H,1-5H2;16H,5-7H2,1-4H3;4-8H,3H2,1-2H3,(H2,11,12,13);6,12H,4-5H2,1-3H3;5H2,1-4H3;18*1H4
InChIKeyHAMTWTWEUJDJHC-UHFFFAOYSA-N
MW3356.92 g/mol
LogP49.68
Rot. Bonds39

About 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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

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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 (PubChem CID 158421153) has the molecular formula C155H281F42NO23S and a molecular weight of 3356.92 g/mol. Its IUPAC name is 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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.

Molecular Properties

Compound Name2-(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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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
PubChem CID158421153
Molecular FormulaC155H281F42NO23S
Molecular Weight3356.92 g/mol
Exact Mass3354.99
IUPAC Name2-(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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(C)(O)C(F)(F)F.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C13H17F3O.C12H21F3O3.C11H14F6O.C11H19F3O3.C10H15NO2S.C8H15F3O.C7H14O2.18CH4/c1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;1-5-9(2)10-6-11(13(3,23)15(17,18)19)8-12(7-10)14(4,24)16(20,21)22;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-6(2)5-7(3,12)8(9,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h10-12,26-27H,6-9H2,1-5H3;11-12,26H,6-10H2,1-5H3;6-9,23-24H,5H2,1-4H3;6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;8,17H,6-7H2,1-5H3;6-8,18H,1-5H2;16H,5-7H2,1-4H3;4-8H,3H2,1-2H3,(H2,11,12,13);6,12H,4-5H2,1-3H3;5H2,1-4H3;18*1H4
InChIKeyHAMTWTWEUJDJHC-UHFFFAOYSA-N
XLogP49.68
TPSA414.19 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003356.92
LogP ≤ 549.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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?
The IUPAC name of 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 158421153) is 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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.
What is the SMILES notation for 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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?
The canonical SMILES for 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(C)(O)C(F)(F)F.CCC(C)CC(C)(O)C(F)(F)F.CCC(C)c1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(S(N)(=O)=O)cc1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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?
The InChIKey is HAMTWTWEUJDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C13H17F3O.C12H21F3O3.C11H14F6O.C11H19F3O3.C10H15NO2S.C8H15F3O.C7H14O2.18CH4/c1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;1-5-9(2)10-6-11(13(3,23)15(17,18)19)8-12(7-10)14(4,24)16(20,21)22;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-4-6(2)5-7(3,12)8(9,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;/h10-12,26-27H,6-9H2,1-5H3;11-12,26H,6-10H2,1-5H3;6-9,23-24H,5H2,1-4H3;6-10,20H,3-5H2,1-2H3;5-9,17H,4H2,1-3H3;8,17H,6-7H2,1-5H3;6-8,18H,1-5H2;16H,5-7H2,1-4H3;4-8H,3H2,1-2H3,(H2,11,12,13);6,12H,4-5H2,1-3H3;5H2,1-4H3;18*1H4.
What are the key properties of 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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?
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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 has a molecular weight of 3356.92 g/mol, XLogP of 49.68, 39 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-butan-2-ylbenzenesulfonamide;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;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;methane;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(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 is sourced from PubChem (CID 158421153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).