(1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate

C97H126F56O21 — CID 158640922

About (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate

(1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate (PubChem CID 158640922) has the molecular formula C97H126F56O21 and a molecular weight of 2691.94 g/mol. Its IUPAC name is (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate
• PubChem CID: 158640922
• Molecular Formula: C97H126F56O21
• Molecular Weight: 2691.94 g/mol
• Exact Mass: 2690.79
• IUPAC Name: (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C(C)(O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1C2CCC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OCC(C)CC(O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C17H24F6O3.C13H17F9O4.C13H20F6O3.C12H11F11O2.C12H21F3O3.C11H11F9O2.C10H11F7O2.C9H11F5O2/c1-4-14(2,3)13(24)26-12-10-6-5-9(7-10)11(12)8-15(25,16(18,19)20)17(21,22)23;1-5-8(2,3)7(23)26-6(9(4,24)11(14,15)16)10(25,12(17,18)19)13(20,21)22;1-5-10(3,4)9(20)22-7-8(2)6-11(21,12(14,15)16)13(17,18)19;1-4-6(2,3)5(24)25-12(23)10(19,20)8(15,16)7(13,14)9(17,18)11(12,21)22;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-4-6(2,3)5(21)22-11(20)9(16,17)7(12,13)8(14,15)10(11,18)19;1-4-6(2,3)5(18)19-10(17)8(13,14)7(11,12)9(10,15)16;1-4-6(2,3)5(15)16-9(14)7(10,11)8(9,12)13/h9-12,25H,4-8H2,1-3H3;6,24-25H,5H2,1-4H3;8,21H,5-7H2,1-4H3;4H2,1-3H3;8,17H,6-7H2,1-5H3;4H2,1-3H3;4H2,1-3H3;4H2,1-3H3
• InChIKey: IAJIIFCKFGRPQL-UHFFFAOYSA-N
• XLogP: 30.51
• TPSA: 311.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2691.94
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate?

The IUPAC name of (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate (CID 158640922) is (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate?

The canonical SMILES for (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C(C)(O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1(F)C(F)(F)C1(F)F.CCC(C)(C)C(=O)OC1C2CCC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OCC(C)CC(O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate?

The InChIKey is IAJIIFCKFGRPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6O3.C13H17F9O4.C13H20F6O3.C12H11F11O2.C12H21F3O3.C11H11F9O2.C10H11F7O2.C9H11F5O2/c1-4-14(2,3)13(24)26-12-10-6-5-9(7-10)11(12)8-15(25,16(18,19)20)17(21,22)23;1-5-8(2,3)7(23)26-6(9(4,24)11(14,15)16)10(25,12(17,18)19)13(20,21)22;1-5-10(3,4)9(20)22-7-8(2)6-11(21,12(14,15)16)13(17,18)19;1-4-6(2,3)5(24)25-12(23)10(19,20)8(15,16)7(13,14)9(17,18)11(12,21)22;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-4-6(2,3)5(21)22-11(20)9(16,17)7(12,13)8(14,15)10(11,18)19;1-4-6(2,3)5(18)19-10(17)8(13,14)7(11,12)9(10,15)16;1-4-6(2,3)5(15)16-9(14)7(10,11)8(9,12)13/h9-12,25H,4-8H2,1-3H3;6,24-25H,5H2,1-4H3;8,21H,5-7H2,1-4H3;4H2,1-3H3;8,17H,6-7H2,1-5H3;4H2,1-3H3;4H2,1-3H3;4H2,1-3H3.

What are the key properties of (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate?

(1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate has a molecular weight of 2691.94 g/mol, XLogP of 30.51, 33 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (1,2,2,3,3,4,4-heptafluorocyclobutyl) 2,2-dimethylbutanoate;[1,1,1,5,5,5-hexafluoro-2,4-dihydroxy-2-methyl-4-(trifluoromethyl)pentan-3-yl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl) 2,2-dimethylbutanoate;(1,2,2,3,3-pentafluorocyclopropyl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;[3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2-dimethylbutanoate;(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 158640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).