2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate

C134H206F20O20 — CID 162170021

About 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate

2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate (PubChem CID 162170021) has the molecular formula C134H206F20O20 and a molecular weight of 2517.06 g/mol. Its IUPAC name is 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate
• PubChem CID: 162170021
• Molecular Formula: C134H206F20O20
• Molecular Weight: 2517.06 g/mol
• Exact Mass: 2515.48
• IUPAC Name: 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate
• SMILES: CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC1C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC1CCC2CC1C2(C)C.CC(F)(F)C(=O)OCC1CCCCCC1.CC(F)(F)C(=O)OCC1CCCCCCCCCCC1.CC(F)(F)C(=O)OCCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCCCCC1CCCCC1.CC12CC3CC(C1)CC(COC(=O)C(C)(F)F)(C3)C2.CC1C2CCC(C2)C1COC(=O)C(C)(F)F
• InChI: InChI=1S/C16H28F2O2.2C15H22F2O2.2C14H20F2O2.C13H20F2O2.C13H22F2O2.C12H18F2O2.C11H16F2O2.C11H18F2O2/c1-16(17,18)15(19)20-13-14-11-9-7-5-3-2-4-6-8-10-12-14;1-13-4-10-3-11(5-13)7-15(6-10,8-13)9-19-12(18)14(2,16)17;1-14(16,17)13(18)19-3-2-15-7-10-4-11(8-15)6-12(5-10)9-15;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-14(15,16)13(17)18-7-12-10-3-8-2-9(5-10)6-11(12)4-8;1-12(2)9-5-4-8(10(12)6-9)7-17-11(16)13(3,14)15;1-13(14,15)12(16)17-10-6-5-9-11-7-3-2-4-8-11;1-7-8-3-4-9(5-8)10(7)6-16-11(15)12(2,13)14;1-11(12,13)10(14)15-6-9-5-7-2-3-8(9)4-7;1-11(12,13)10(14)15-8-9-6-4-2-3-5-7-9/h14H,2-13H2,1H3;10-11H,3-9H2,1-2H3;10-12H,2-9H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,4-7H2,1-3H3;11H,2-10H2,1H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3
• InChIKey: ZNQXLNSICDIHLU-UHFFFAOYSA-N
• XLogP: 35.18
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2517.06
LogP ≤ 5	35.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate?

The IUPAC name of 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate (CID 162170021) is 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate.

What is the SMILES notation for 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate?

The canonical SMILES for 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC1C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC1CCC2CC1C2(C)C.CC(F)(F)C(=O)OCC1CCCCCC1.CC(F)(F)C(=O)OCC1CCCCCCCCCCC1.CC(F)(F)C(=O)OCCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCCCCC1CCCCC1.CC12CC3CC(C1)CC(COC(=O)C(C)(F)F)(C3)C2.CC1C2CCC(C2)C1COC(=O)C(C)(F)F.

What is the InChIKey of 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate?

The InChIKey is ZNQXLNSICDIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2O2.2C15H22F2O2.2C14H20F2O2.C13H20F2O2.C13H22F2O2.C12H18F2O2.C11H16F2O2.C11H18F2O2/c1-16(17,18)15(19)20-13-14-11-9-7-5-3-2-4-6-8-10-12-14;1-13-4-10-3-11(5-13)7-15(6-10,8-13)9-19-12(18)14(2,16)17;1-14(16,17)13(18)19-3-2-15-7-10-4-11(8-15)6-12(5-10)9-15;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-14(15,16)13(17)18-7-12-10-3-8-2-9(5-10)6-11(12)4-8;1-12(2)9-5-4-8(10(12)6-9)7-17-11(16)13(3,14)15;1-13(14,15)12(16)17-10-6-5-9-11-7-3-2-4-8-11;1-7-8-3-4-9(5-8)10(7)6-16-11(15)12(2,13)14;1-11(12,13)10(14)15-6-9-5-7-2-3-8(9)4-7;1-11(12,13)10(14)15-8-9-6-4-2-3-5-7-9/h14H,2-13H2,1H3;10-11H,3-9H2,1-2H3;10-12H,2-9H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,4-7H2,1-3H3;11H,2-10H2,1H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3.

What are the key properties of 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate?

2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate has a molecular weight of 2517.06 g/mol, XLogP of 35.18, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate is sourced from PubChem (CID 162170021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).