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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate

C150H236F48N4O32S4 — CID 160689197

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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
SMILESCC1C2CC(C(=O)NS(=O)(=O)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.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(CC(C)(O)C(F)(F)F)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.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C12H18F6O3.C11H14F6O.C11H16F3NO3S.C11H19F3O3.C11H19NO3S.C8H15F3O.C7H12F3NO3S.C7H15NO3S.C7H14O2/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;1-5-9(2,3)8(19)21-7(11(13,14)15)6-10(4,20)12(16,17)18;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-6(2)8-3-7(5)4-9(8)10(16)15-19(17,18)11(12,13)14;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15;1-4-6(2)5-7(3,12)8(9,10)11;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)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;7,20H,5-6H2,1-4H3;6-8,18H,1-5H2;5-9H,3-4H2,1-2H3,(H,15,16);16H,5-7H2,1-4H3;6-10H,4-5H2,1-3H3,(H,12,13);6,12H,4-5H2,1-3H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3
InChIKeyRPEMIEVVPRTNIW-UHFFFAOYSA-N
MW3647.71 g/mol
LogP37.71
Rot. Bonds43

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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 160689197) has the molecular formula C150H236F48N4O32S4 and a molecular weight of 3647.71 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 CID160689197
Molecular FormulaC150H236F48N4O32S4
Molecular Weight3647.71 g/mol
Exact Mass3645.51
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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
SMILESCC1C2CC(C(=O)NS(=O)(=O)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.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(CC(C)(O)C(F)(F)F)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.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C12H18F6O3.C11H14F6O.C11H16F3NO3S.C11H19F3O3.C11H19NO3S.C8H15F3O.C7H12F3NO3S.C7H15NO3S.C7H14O2/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;1-5-9(2,3)8(19)21-7(11(13,14)15)6-10(4,20)12(16,17)18;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-6(2)8-3-7(5)4-9(8)10(16)15-19(17,18)11(12,13)14;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15;1-4-6(2)5-7(3,12)8(9,10)11;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)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;7,20H,5-6H2,1-4H3;6-8,18H,1-5H2;5-9H,3-4H2,1-2H3,(H,15,16);16H,5-7H2,1-4H3;6-10H,4-5H2,1-3H3,(H,12,13);6,12H,4-5H2,1-3H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3
InChIKeyRPEMIEVVPRTNIW-UHFFFAOYSA-N
XLogP37.71
TPSA586.76 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003647.71
LogP ≤ 537.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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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Related Compounds

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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 160689197) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 CC1C2CC(C(=O)NS(=O)(=O)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.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(CC(C)(O)C(F)(F)F)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.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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 RPEMIEVVPRTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O4.C18H28F6O3.C16H20F6O2.C13H18F6O.C12H18F6O3.C11H14F6O.C11H16F3NO3S.C11H19F3O3.C11H19NO3S.C8H15F3O.C7H12F3NO3S.C7H15NO3S.C7H14O2/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;1-5-9(2,3)8(19)21-7(11(13,14)15)6-10(4,20)12(16,17)18;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-6(2)8-3-7(5)4-9(8)10(16)15-19(17,18)11(12,13)14;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15;1-4-6(2)5-7(3,12)8(9,10)11;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)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;7,20H,5-6H2,1-4H3;6-8,18H,1-5H2;5-9H,3-4H2,1-2H3,(H,15,16);16H,5-7H2,1-4H3;6-10H,4-5H2,1-3H3,(H,12,13);6,12H,4-5H2,1-3H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3.
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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 3647.71 g/mol, XLogP of 37.71, 43 rotatable bonds, 14 hydrogen bond donors, and 32 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;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;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;(1,1,1,5,5,5-hexafluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;1,1,1-trifluoro-2,4-dimethylhexan-2-ol;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 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 160689197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).