[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane

C96H120F72O20 — CID 158305997

About [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane

[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane (PubChem CID 158305997) has the molecular formula C96H120F72O20 and a molecular weight of 2961.85 g/mol. Its IUPAC name is [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane.

Molecular Properties

• Compound Name: [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane
• PubChem CID: 158305997
• Molecular Formula: C96H120F72O20
• Molecular Weight: 2961.85 g/mol
• Exact Mass: 2960.72
• IUPAC Name: [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane
• SMILES: C.C.CC1C(C)C2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)COC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)OC1C(C(O)(C(F)(F)F)C(F)(F)F)CCC1C(O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C18H22F12O4.C17H20F12O4.C15H18F12O4.C15H18F12O3.C15H16F12O2.C14H18F12O3.2CH4/c1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-3-7(2)11(30)33-10-5-8(12(31,14(18,19)20)15(21,22)23)4-9(6-10)13(32,16(24,25)26)17(27,28)29;1-4-9(2,3)8(28)31-7(5-10(29,12(16,17)18)13(19,20)21)6-11(30,14(22,23)24)15(25,26)27;1-3-6(2)30-9-7(10(28,12(16,17)18)13(19,20)21)4-5-8(9)11(29,14(22,23)24)15(25,26)27;1-4-5(2)7-3-6(4)8(10(28,12(16,17)18)13(19,20)21)9(7)11(29,14(22,23)24)15(25,26)27;1-3-7(2)6-29-8(4-9(27,11(15,16)17)12(18,19)20)5-10(28,13(21,22)23)14(24,25)26;;/h8-10,32-33H,4-7H2,1-3H3;7-10,31-32H,3-6H2,1-2H3;7,29-30H,4-6H2,1-3H3;6-9,28-29H,3-5H2,1-2H3;4-9,28-29H,3H2,1-2H3;7-8,27-28H,3-6H2,1-2H3;2*1H4
• InChIKey: GNBWZFNPXRJNGU-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 340.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2961.85
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane?

The IUPAC name of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane (CID 158305997) is [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane.

What is the SMILES notation for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane?

The canonical SMILES for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane is C.C.CC1C(C)C2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)COC(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)OC1C(C(O)(C(F)(F)F)C(F)(F)F)CCC1C(O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane?

The InChIKey is GNBWZFNPXRJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F12O4.C17H20F12O4.C15H18F12O4.C15H18F12O3.C15H16F12O2.C14H18F12O3.2CH4/c1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-3-7(2)11(30)33-10-5-8(12(31,14(18,19)20)15(21,22)23)4-9(6-10)13(32,16(24,25)26)17(27,28)29;1-4-9(2,3)8(28)31-7(5-10(29,12(16,17)18)13(19,20)21)6-11(30,14(22,23)24)15(25,26)27;1-3-6(2)30-9-7(10(28,12(16,17)18)13(19,20)21)4-5-8(9)11(29,14(22,23)24)15(25,26)27;1-4-5(2)7-3-6(4)8(10(28,12(16,17)18)13(19,20)21)9(7)11(29,14(22,23)24)15(25,26)27;1-3-7(2)6-29-8(4-9(27,11(15,16)17)12(18,19)20)5-10(28,13(21,22)23)14(24,25)26;;/h8-10,32-33H,4-7H2,1-3H3;7-10,31-32H,3-6H2,1-2H3;7,29-30H,4-6H2,1-3H3;6-9,28-29H,3-5H2,1-2H3;4-9,28-29H,3H2,1-2H3;7-8,27-28H,3-6H2,1-2H3;2*1H4.

What are the key properties of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane?

[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane has a molecular weight of 2961.85 g/mol, XLogP of 31.30, 32 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;2-[2-butan-2-yloxy-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-yl] 2,2-dimethylbutanoate;1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]propan-2-ol;1,1,1,7,7,7-hexafluoro-4-(2-methylbutoxy)-2,6-bis(trifluoromethyl)heptane-2,6-diol;methane is sourced from PubChem (CID 158305997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).