(5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate

C138H214F14O18 — CID 158300712

About (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate

(5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate (PubChem CID 158300712) has the molecular formula C138H214F14O18 and a molecular weight of 2427.18 g/mol. Its IUPAC name is (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate
• PubChem CID: 158300712
• Molecular Formula: C138H214F14O18
• Molecular Weight: 2427.18 g/mol
• Exact Mass: 2425.56
• IUPAC Name: (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate
• SMILES: CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OC1CCC(C4CCCCC4)CC1)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C1CCCCC1)(C3)C2.CC(F)(F)C(=O)OC1CC2CC1CC2C1CCCCC1.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1CCC(C4CCCCC4)CC1)(C3)C2.CC(F)(F)COC1CCC(C2CCCCC2)CC1.CCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1.CCCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1
• InChI: InChI=1S/C27H40F2O5.C26H38F2O4.C19H28F2O2.C18H30F2O2.C17H28F2O2.C16H24F2O2.C15H26F2O/c1-25(28,29)23(30)32-17-26-12-18-11-19(13-26)15-27(14-18,16-26)34-24(31)33-22-9-7-21(8-10-22)20-5-3-2-4-6-20;1-25(27,28)23(29)32-22-19-11-16-12-20(22)15-26(13-16,14-19)24(30)31-21-9-7-18(8-10-21)17-5-3-2-4-6-17;1-18(20,21)17(22)23-16-13-7-12-8-14(16)11-19(9-12,10-13)15-5-3-2-4-6-15;1-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)22-17(21)18(2,19)20;1-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)21-16(20)17(2,18)19;1-16(17,18)15(19)20-14-9-11-7-12(14)8-13(11)10-5-3-2-4-6-10;1-15(16,17)11-18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h18-22H,2-17H2,1H3;16-22H,2-15H2,1H3;12-16H,2-11H2,1H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;10-14H,2-9H2,1H3;12-14H,2-11H2,1H3
• InChIKey: GMLRZJQLLICNLQ-UHFFFAOYSA-N
• XLogP: 37.13
• TPSA: 228.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2427.18
LogP ≤ 5	37.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate?

The IUPAC name of (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate (CID 158300712) is (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate.

What is the SMILES notation for (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate?

The canonical SMILES for (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OC1CCC(C4CCCCC4)CC1)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C1CCCCC1)(C3)C2.CC(F)(F)C(=O)OC1CC2CC1CC2C1CCCCC1.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1CCC(C4CCCCC4)CC1)(C3)C2.CC(F)(F)COC1CCC(C2CCCCC2)CC1.CCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1.CCCC1CCC(C2CCC(OC(=O)C(C)(F)F)CC2)CC1.

What is the InChIKey of (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate?

The InChIKey is GMLRZJQLLICNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40F2O5.C26H38F2O4.C19H28F2O2.C18H30F2O2.C17H28F2O2.C16H24F2O2.C15H26F2O/c1-25(28,29)23(30)32-17-26-12-18-11-19(13-26)15-27(14-18,16-26)34-24(31)33-22-9-7-21(8-10-22)20-5-3-2-4-6-20;1-25(27,28)23(29)32-22-19-11-16-12-20(22)15-26(13-16,14-19)24(30)31-21-9-7-18(8-10-21)17-5-3-2-4-6-17;1-18(20,21)17(22)23-16-13-7-12-8-14(16)11-19(9-12,10-13)15-5-3-2-4-6-15;1-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)22-17(21)18(2,19)20;1-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)21-16(20)17(2,18)19;1-16(17,18)15(19)20-14-9-11-7-12(14)8-13(11)10-5-3-2-4-6-10;1-15(16,17)11-18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h18-22H,2-17H2,1H3;16-22H,2-15H2,1H3;12-16H,2-11H2,1H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;10-14H,2-9H2,1H3;12-14H,2-11H2,1H3.

What are the key properties of (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate?

(5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate has a molecular weight of 2427.18 g/mol, XLogP of 37.13, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclohexyl-2-adamantyl) 2,2-difluoropropanoate;(5-cyclohexyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoropropanoate;(4-cyclohexylcyclohexyl) 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-(4-cyclohexylcyclohexyl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate;1-cyclohexyl-4-(2,2-difluoropropoxy)cyclohexane;[4-(4-ethylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;[4-(4-propylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate is sourced from PubChem (CID 158300712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).