[2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate

C141H184F32O33 — CID 159414643

About [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate

[2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate (PubChem CID 159414643) has the molecular formula C141H184F32O33 and a molecular weight of 3014.93 g/mol. Its IUPAC name is [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate.

Molecular Properties

• Compound Name: [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate
• PubChem CID: 159414643
• Molecular Formula: C141H184F32O33
• Molecular Weight: 3014.93 g/mol
• Exact Mass: 3013.22
• IUPAC Name: [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate
• SMILES: CC(F)(F)C(F)(F)C(F)(F)OCCOC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)OCCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(CO)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(COC(=O)C12CC3CC(C1)C(=O)C(C3)C2)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)OCC(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(O)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)OCC(O)COC(=O)C12CC3CC(C1)C(O)C(C3)C2
• InChI: InChI=1S/C28H34F4O7.C28H38F4O5.C17H20F6O4.C17H22F6O3.C17H24F4O5.C17H22F4O5.C17H24F4O4/c1-25(29,30)28(31,32)38-13-20(39-24(36)27-7-15-4-18(10-27)22(34)19(5-15)11-27)12-37-23(35)26-6-14-2-16(8-26)21(33)17(3-14)9-26;1-25(29,30)28(31,32)36-15-22(37-24(34)27-11-19-5-20(12-27)7-21(6-19)13-27)14-35-23(33)26-8-16-2-17(9-26)4-18(3-16)10-26;1-14(18,19)16(20,21)17(22,23)27-3-2-26-13(25)15-6-9-4-10(7-15)12(24)11(5-9)8-15;1-14(18,19)16(20,21)17(22,23)26-3-2-25-13(24)15-7-10-4-11(8-15)6-12(5-10)9-15;2*1-15(18,19)17(20,21)26-8-12(22)7-25-14(24)16-4-9-2-10(5-16)13(23)11(3-9)6-16;1-15(18,19)17(20,21)24-9-13(8-22)25-14(23)16-5-10-2-11(6-16)4-12(3-10)7-16/h14-20H,2-13H2,1H3;16-22H,2-15H2,1H3;9-11H,2-8H2,1H3;10-12H,2-9H2,1H3;9-13,22-23H,2-8H2,1H3;9-12,22H,2-8H2,1H3;10-13,22H,2-9H2,1H3
• InChIKey: LOZWXWSSVFQZKK-UHFFFAOYSA-N
• XLogP: 27.37
• TPSA: 450.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 53
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3014.93
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate?

The IUPAC name of [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate (CID 159414643) is [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate.

What is the SMILES notation for [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate?

The canonical SMILES for [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate is CC(F)(F)C(F)(F)C(F)(F)OCCOC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)OCCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(CO)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(COC(=O)C12CC3CC(C1)C(=O)C(C3)C2)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)OCC(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)OCC(O)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)OCC(O)COC(=O)C12CC3CC(C1)C(O)C(C3)C2.

What is the InChIKey of [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate?

The InChIKey is LOZWXWSSVFQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4O7.C28H38F4O5.C17H20F6O4.C17H22F6O3.C17H24F4O5.C17H22F4O5.C17H24F4O4/c1-25(29,30)28(31,32)38-13-20(39-24(36)27-7-15-4-18(10-27)22(34)19(5-15)11-27)12-37-23(35)26-6-14-2-16(8-26)21(33)17(3-14)9-26;1-25(29,30)28(31,32)36-15-22(37-24(34)27-11-19-5-20(12-27)7-21(6-19)13-27)14-35-23(33)26-8-16-2-17(9-26)4-18(3-16)10-26;1-14(18,19)16(20,21)17(22,23)27-3-2-26-13(25)15-6-9-4-10(7-15)12(24)11(5-9)8-15;1-14(18,19)16(20,21)17(22,23)26-3-2-25-13(24)15-7-10-4-11(8-15)6-12(5-10)9-15;2*1-15(18,19)17(20,21)26-8-12(22)7-25-14(24)16-4-9-2-10(5-16)13(23)11(3-9)6-16;1-15(18,19)17(20,21)24-9-13(8-22)25-14(23)16-5-10-2-11(6-16)4-12(3-10)7-16/h14-20H,2-13H2,1H3;16-22H,2-15H2,1H3;9-11H,2-8H2,1H3;10-12H,2-9H2,1H3;9-13,22-23H,2-8H2,1H3;9-12,22H,2-8H2,1H3;10-13,22H,2-9H2,1H3.

What are the key properties of [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate?

[2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate has a molecular weight of 3014.93 g/mol, XLogP of 27.37, 53 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(adamantane-1-carbonyloxy)-3-(1,1,2,2-tetrafluoropropoxy)propyl] adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl 4-oxoadamantane-1-carboxylate;[1-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propan-2-yl] adamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-hydroxyadamantane-1-carboxylate;[2-hydroxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate;[2-(4-oxoadamantane-1-carbonyl)oxy-3-(1,1,2,2-tetrafluoropropoxy)propyl] 4-oxoadamantane-1-carboxylate is sourced from PubChem (CID 159414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).