N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate

C125H239F32N5O29S5 — CID 162083915

About N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate

N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate (PubChem CID 162083915) has the molecular formula C125H239F32N5O29S5 and a molecular weight of 3044.56 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate
• PubChem CID: 162083915
• Molecular Formula: C125H239F32N5O29S5
• Molecular Weight: 3044.56 g/mol
• Exact Mass: 3042.55
• IUPAC Name: N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C(=O)CC(=O)C1C.CC1C2CC(C(=O)NS(=O)(=O)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(=O)(=O)C1CCCCC1.CCC(C)(C)C(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OCCOC(=O)CC(C)=O.CCC1CC(O)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
• InChI: InChI=1S/C18H22F12O3.C12H18F6O3.C12H23NO3S.C12H20O5.C11H16F3NO3S.C11H19NO3S.C10H12F8O.C7H12F3NO3S.C7H15NO3S.C7H10O2.18CH4/c1-4-12(2,3)11(31)33-14(17(25,26)27,18(28,29)30)10-7-5-9(6-8-10)13(32,15(19,20)21)16(22,23)24;1-5-9(3,4)8(19)21-7(2)6-10(20,11(13,14)15)12(16,17)18;1-4-12(2,3)11(14)13-17(15,16)10-8-6-5-7-9-10;1-5-12(3,4)11(15)17-7-6-16-10(14)8-9(2)13;1-5-6(2)8-3-7(5)4-9(8)10(16)15-19(17,18)11(12,13)14;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15;1-3-5-4-7(19,10(16,17)18)9(14,15)8(5,13)6(2,11)12;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;1-4-5(2)7(9)3-6(4)8;;;;;;;;;;;;;;;;;;/h9-10,32H,4-8H2,1-3H3;7,20H,5-6H2,1-4H3;10H,4-9H2,1-3H3,(H,13,14);5-8H2,1-4H3;5-9H,3-4H2,1-2H3,(H,15,16);6-10H,4-5H2,1-3H3,(H,12,13);5,19H,3-4H2,1-2H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);4-5H,3H2,1-2H3;18*1H4
• InChIKey: ZCRYSCTXFASWBI-UHFFFAOYSA-N
• XLogP: 34.50
• TPSA: 533.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3044.56
LogP ≤ 5	34.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate?

The IUPAC name of N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate (CID 162083915) is N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate.

What is the SMILES notation for N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate?

The canonical SMILES for N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C(=O)CC(=O)C1C.CC1C2CC(C(=O)NS(=O)(=O)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)NS(C)(=O)=O)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(=O)(=O)C1CCCCC1.CCC(C)(C)C(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OCCOC(=O)CC(C)=O.CCC1CC(O)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.

What is the InChIKey of N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate?

The InChIKey is ZCRYSCTXFASWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F12O3.C12H18F6O3.C12H23NO3S.C12H20O5.C11H16F3NO3S.C11H19NO3S.C10H12F8O.C7H12F3NO3S.C7H15NO3S.C7H10O2.18CH4/c1-4-12(2,3)11(31)33-14(17(25,26)27,18(28,29)30)10-7-5-9(6-8-10)13(32,15(19,20)21)16(22,23)24;1-5-9(3,4)8(19)21-7(2)6-10(20,11(13,14)15)12(16,17)18;1-4-12(2,3)11(14)13-17(15,16)10-8-6-5-7-9-10;1-5-12(3,4)11(15)17-7-6-16-10(14)8-9(2)13;1-5-6(2)8-3-7(5)4-9(8)10(16)15-19(17,18)11(12,13)14;1-6-7(2)9-4-8(6)5-10(9)11(13)12-16(3,14)15;1-3-5-4-7(19,10(16,17)18)9(14,15)8(5,13)6(2,11)12;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;1-4-5(2)7(9)3-6(4)8;;;;;;;;;;;;;;;;;;/h9-10,32H,4-8H2,1-3H3;7,20H,5-6H2,1-4H3;10H,4-9H2,1-3H3,(H,13,14);5-8H2,1-4H3;5-9H,3-4H2,1-2H3,(H,15,16);6-10H,4-5H2,1-3H3,(H,12,13);5,19H,3-4H2,1-2H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);4-5H,3H2,1-2H3;18*1H4.

What are the key properties of N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate?

N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate has a molecular weight of 3044.56 g/mol, XLogP of 34.50, 33 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexylsulfonyl-2,2-dimethylbutanamide;3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentan-1-ol;4,5-dimethylcyclopentane-1,3-dione;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;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;2-(3-oxobutanoyloxy)ethyl 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 162083915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).