adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate

C119H188F36O24 — CID 159991269

IUPACadamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate
SMILESC1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(F)(F)C(C)(F)F.CC(=O)OCCCC(C)(F)F.CC(C)(C)C(=O)OCC(F)(F)C(C)(F)F.CC(C)C(=O)OCCC(F)(F)C(C)(F)F.CC(F)(F)CCCOC(=O)C(C)(C)C.CC(F)(F)CCCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)CCOC(=O)C(C)(C)C.CCC(=O)OCCC(F)(F)C(C)(F)F
InChIInChI=1S/C16H24F2O2.C10H18F2O2.2C10H16.2C9H14F4O2.C9H16F2O2.C8H12F4O2.C7H10F4O2.C7H12F2O2.2C6H8F4O2.2C6H10F2O2/c1-15(17,18)3-2-4-20-14(19)16-8-11-5-12(9-16)7-13(6-11)10-16;1-9(2,3)8(13)14-7-5-6-10(4,11)12;2*1-7-2-9-4-8(1)5-10(3-7)6-9;1-7(2,3)6(14)15-5-9(12,13)8(4,10)11;1-6(2)7(14)15-5-4-9(12,13)8(3,10)11;1-8(2,3)7(12)13-6-5-9(4,10)11;1-3-6(13)14-5-4-8(11,12)7(2,9)10;1-5(12)13-4-3-7(10,11)6(2,8)9;1-6(10)11-5-3-4-7(2,8)9;2*1-4(11)12-3-6(9,10)5(2,7)8;2*1-5(9)10-4-3-6(2,7)8/h11-13H,2-10H2,1H3;5-7H2,1-4H3;2*7-10H,1-6H2;5H2,1-4H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3-5H2,1-2H3;2*3H2,1-2H3;2*3-4H2,1-2H3
InChIKeyOGYZWRLESNGCIM-UHFFFAOYSA-N
MW2686.72 g/mol
LogP34.92
Rot. Bonds45

About adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate

adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate (PubChem CID 159991269) has the molecular formula C119H188F36O24 and a molecular weight of 2686.72 g/mol. Its IUPAC name is adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate.

Molecular Properties

Compound Nameadamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate
PubChem CID159991269
Molecular FormulaC119H188F36O24
Molecular Weight2686.72 g/mol
Exact Mass2685.29
IUPAC Nameadamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate
SMILESC1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(F)(F)C(C)(F)F.CC(=O)OCCCC(C)(F)F.CC(C)(C)C(=O)OCC(F)(F)C(C)(F)F.CC(C)C(=O)OCCC(F)(F)C(C)(F)F.CC(F)(F)CCCOC(=O)C(C)(C)C.CC(F)(F)CCCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)CCOC(=O)C(C)(C)C.CCC(=O)OCCC(F)(F)C(C)(F)F
InChIInChI=1S/C16H24F2O2.C10H18F2O2.2C10H16.2C9H14F4O2.C9H16F2O2.C8H12F4O2.C7H10F4O2.C7H12F2O2.2C6H8F4O2.2C6H10F2O2/c1-15(17,18)3-2-4-20-14(19)16-8-11-5-12(9-16)7-13(6-11)10-16;1-9(2,3)8(13)14-7-5-6-10(4,11)12;2*1-7-2-9-4-8(1)5-10(3-7)6-9;1-7(2,3)6(14)15-5-9(12,13)8(4,10)11;1-6(2)7(14)15-5-4-9(12,13)8(3,10)11;1-8(2,3)7(12)13-6-5-9(4,10)11;1-3-6(13)14-5-4-8(11,12)7(2,9)10;1-5(12)13-4-3-7(10,11)6(2,8)9;1-6(10)11-5-3-4-7(2,8)9;2*1-4(11)12-3-6(9,10)5(2,7)8;2*1-5(9)10-4-3-6(2,7)8/h11-13H,2-10H2,1H3;5-7H2,1-4H3;2*7-10H,1-6H2;5H2,1-4H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3-5H2,1-2H3;2*3H2,1-2H3;2*3-4H2,1-2H3
InChIKeyOGYZWRLESNGCIM-UHFFFAOYSA-N
XLogP34.92
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.72
LogP ≤ 534.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate with MolForge

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Related Compounds

3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate
CID 58122770
6,6,7,7-tetrafluorooctyl adamantane-1-carboxylate
CID 89280251
[2-(adamantane-1-carbonyloxymethyl)-3-(4-bromo-3,3,4,4-tetrafluorobutoxy)-2-methyl-3-oxopropyl] adamantane-1-carboxylate
CID 90264182
[2-methyl-2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxycarbonyl)butyl] adamantane-1-carboxylate
CID 121404691
[1,1,2,2-tetrafluoro-3-[2-(2-methylpropanoyloxy)ethoxy]-3-oxopropyl] adamantane-1-carboxylate
CID 118910590
4-(adamantane-1-carbonyloxy)-2,2-difluorobutanoic acid
CID 170225372
4-[3-(adamantane-1-carbonyloxy)-2-(adamantane-1-carbonyloxymethyl)-2-methylpropanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonic acid
CID 90255522
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306
2-(2-bromo-2,2-difluoroacetyl)oxyethyl adamantane-1-carboxylate
CID 164579755
tridecyl adamantane-1-carboxylate
CID 585445
3-(adamantane-1-carbonyloxy)propane-1-sulfonate;3-(adamantane-2-carbonyloxy)propane-1-sulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3-(cyclohexanecarbonyloxy)propane-1-sulfonate;3-(cyclopentanecarbonyloxy)propane-1-sulfonate;3-(2,2-dimethylpropanoyloxy)propane-1-sulfonate;3-heptanoyloxypropane-1-sulfonate;3-(2-methylpropanoyloxy)propane-1-sulfonate;3-octanoyloxypropane-1-sulfonate;3-pentanoyloxypropane-1-sulfonate
CID 165097541
2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl adamantane-1-carboxylate
CID 162508356

Frequently Asked Questions

What is the IUPAC name of adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate?
The IUPAC name of adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate (CID 159991269) is adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate.
What is the SMILES notation for adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate?
The canonical SMILES for adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate is C1C2CC3CC1CC(C2)C3.C1C2CC3CC1CC(C2)C3.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCC(F)(F)C(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(C)(F)F.CC(=O)OCCC(F)(F)C(C)(F)F.CC(=O)OCCCC(C)(F)F.CC(C)(C)C(=O)OCC(F)(F)C(C)(F)F.CC(C)C(=O)OCCC(F)(F)C(C)(F)F.CC(F)(F)CCCOC(=O)C(C)(C)C.CC(F)(F)CCCOC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)CCOC(=O)C(C)(C)C.CCC(=O)OCCC(F)(F)C(C)(F)F.
What is the InChIKey of adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate?
The InChIKey is OGYZWRLESNGCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O2.C10H18F2O2.2C10H16.2C9H14F4O2.C9H16F2O2.C8H12F4O2.C7H10F4O2.C7H12F2O2.2C6H8F4O2.2C6H10F2O2/c1-15(17,18)3-2-4-20-14(19)16-8-11-5-12(9-16)7-13(6-11)10-16;1-9(2,3)8(13)14-7-5-6-10(4,11)12;2*1-7-2-9-4-8(1)5-10(3-7)6-9;1-7(2,3)6(14)15-5-9(12,13)8(4,10)11;1-6(2)7(14)15-5-4-9(12,13)8(3,10)11;1-8(2,3)7(12)13-6-5-9(4,10)11;1-3-6(13)14-5-4-8(11,12)7(2,9)10;1-5(12)13-4-3-7(10,11)6(2,8)9;1-6(10)11-5-3-4-7(2,8)9;2*1-4(11)12-3-6(9,10)5(2,7)8;2*1-5(9)10-4-3-6(2,7)8/h11-13H,2-10H2,1H3;5-7H2,1-4H3;2*7-10H,1-6H2;5H2,1-4H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;3-5H2,1-2H3;3-4H2,1-2H3;3-5H2,1-2H3;2*3H2,1-2H3;2*3-4H2,1-2H3.
What are the key properties of adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate?
adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate has a molecular weight of 2686.72 g/mol, XLogP of 34.92, 45 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;bis(3,3-difluorobutyl acetate);3,3-difluorobutyl 2,2-dimethylpropanoate;4,4-difluoropentyl acetate;4,4-difluoropentyl adamantane-1-carboxylate;4,4-difluoropentyl 2,2-dimethylpropanoate;bis(2,2,3,3-tetrafluorobutyl acetate);2,2,3,3-tetrafluorobutyl 2,2-dimethylpropanoate;3,3,4,4-tetrafluoropentyl acetate;3,3,4,4-tetrafluoropentyl 2-methylpropanoate;3,3,4,4-tetrafluoropentyl propanoate is sourced from PubChem (CID 159991269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).