[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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

C145H244F24O25S — CID 158896958

About [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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

[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 158896958) has the molecular formula C145H244F24O25S and a molecular weight of 2875.54 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 Name: [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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: 158896958
• Molecular Formula: C145H244F24O25S
• Molecular Weight: 2875.54 g/mol
• Exact Mass: 2873.72
• IUPAC Name: [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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
• SMILES: CC(=O)OC(C)(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.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.CCC(C)(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.CCC(C)(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.OC1(C(F)(F)F)CC2CCC1C2
• InChI: InChI=1S/C23H37F3O3.C19H31F3O3.C15H25F3O3.C13H19F3O2.C12H19F3O.C10H15F3OS.C10H17F3O.C8H11F3O.5C7H14O2/c1-5-21(2,3)20(27)29-19-16-12-8-6-10-14(16)18(22(4,28)23(24,25)26)15-11-7-9-13-17(15)19;1-5-17(2,3)16(23)25-15-11-10-14(18(4,24)19(20,21)22)12-8-6-7-9-13(12)15;1-5-13(2,3)12(19)21-11-8-6-10(7-9-11)14(4,20)15(16,17)18;1-8(17)18-12(2,13(14,15)16)7-11-6-9-3-4-10(11)5-9;1-11(16,12(13,14)15)7-10-6-8-2-4-9(10)5-3-8;1-9(14,10(11,12)13)5-6-4-7-2-3-8(6)15-7;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;9-8(10,11)7(12)4-5-1-2-6(7)3-5;5*1-5-7(2,3)6(8)9-4/h14-19,28H,5-13H2,1-4H3;12-15,24H,5-11H2,1-4H3;10-11,20H,5-9H2,1-4H3;9-11H,3-7H2,1-2H3;8-10,16H,2-7H2,1H3;6-8,14H,2-5H2,1H3;8,14H,2-7H2,1H3;5-6,12H,1-4H2;5*5H2,1-4H3
• InChIKey: JEYMBTHPGAZTBL-UHFFFAOYSA-N
• XLogP: 38.13
• TPSA: 378.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.54
LogP ≤ 5	38.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 158896958) is [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 CC(=O)OC(C)(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.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC1C2CCCCC2C(C(C)(O)C(F)(F)F)C2CCCCC21.CCC(C)(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)C2CCCCC12.CCC(C)(C)C(=O)OC1CCC(C(C)(O)C(F)(F)F)CC1.OC1(C(F)(F)F)CC2CCC1C2.

What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 JEYMBTHPGAZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F3O3.C19H31F3O3.C15H25F3O3.C13H19F3O2.C12H19F3O.C10H15F3OS.C10H17F3O.C8H11F3O.5C7H14O2/c1-5-21(2,3)20(27)29-19-16-12-8-6-10-14(16)18(22(4,28)23(24,25)26)15-11-7-9-13-17(15)19;1-5-17(2,3)16(23)25-15-11-10-14(18(4,24)19(20,21)22)12-8-6-7-9-13(12)15;1-5-13(2,3)12(19)21-11-8-6-10(7-9-11)14(4,20)15(16,17)18;1-8(17)18-12(2,13(14,15)16)7-11-6-9-3-4-10(11)5-9;1-11(16,12(13,14)15)7-10-6-8-2-4-9(10)5-3-8;1-9(14,10(11,12)13)5-6-4-7-2-3-8(6)15-7;1-9(14,10(11,12)13)7-8-5-3-2-4-6-8;9-8(10,11)7(12)4-5-1-2-6(7)3-5;5*1-5-7(2,3)6(8)9-4/h14-19,28H,5-13H2,1-4H3;12-15,24H,5-11H2,1-4H3;10-11,20H,5-9H2,1-4H3;9-11H,3-7H2,1-2H3;8-10,16H,2-7H2,1H3;6-8,14H,2-5H2,1H3;8,14H,2-7H2,1H3;5-6,12H,1-4H2;5*5H2,1-4H3.

What are the key properties of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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?

[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 2875.54 g/mol, XLogP of 38.13, 31 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl] acetate;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;pentakis(methyl 2,2-dimethylbutanoate);[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] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;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 158896958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).