4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate

C126H149F54O57S18-9 — CID 159008041

IUPAC4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=CC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(=O)C12CC3CC(C1)CC(C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CC2CCC1C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CCCCC1
InChIInChI=1S/C19H23F6O7S2.C17H21F6O7S2.C17H19F6O7S2.C17H21F6O6S2.C14H17F6O6S2.C13H17F6O6S2.2C10H11F6O6S2.C9H9F6O6S2/c1-10(3-14(33(28,29)18(20,21)22)34(30,31)19(23,24)25)32-15(27)17-7-12-4-13(8-17)6-16(5-12,9-17)11(2)26;1-9(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-13(24)14-4-10-3-11(5-14)7-15(25,6-10)8-14;1-8(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-14(25)15-5-9-3-10(6-15)13(24)11(4-9)7-15;1-9(2-13(30(25,26)16(18,19)20)31(27,28)17(21,22)23)29-14(24)15-6-10-3-11(7-15)5-12(4-10)8-15;1-7(26-12(21)10-6-8-2-3-9(10)5-8)4-11(27(22,23)13(15,16)17)28(24,25)14(18,19)20;1-8(25-11(20)9-5-3-2-4-6-9)7-10(26(21,22)12(14,15)16)27(23,24)13(17,18)19;2*1-5(2)8(17)22-6(3)4-7(23(18,19)9(11,12)13)24(20,21)10(14,15)16;1-3-6(16)21-5(2)4-7(22(17,18)8(10,11)12)23(19,20)9(13,14)15/h10,12-13H,3-9H2,1-2H3;9-11,25H,2-8H2,1H3;8-11H,2-7H2,1H3;9-12H,2-8H2,1H3;7-10H,2-6H2,1H3;8-9H,2-7H2,1H3;2*6H,1,4H2,2-3H3;3,5H,1,4H2,2H3/q9*-1
InChIKeyJSDXVLSPDGWDQC-UHFFFAOYSA-N
MW4178.62 g/mol
LogP26.48
Rot. Bonds55

About 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate

4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate (PubChem CID 159008041) has the molecular formula C126H149F54O57S18-9 and a molecular weight of 4178.62 g/mol. Its IUPAC name is 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate
PubChem CID159008041
Molecular FormulaC126H149F54O57S18-9
Molecular Weight4178.62 g/mol
Exact Mass4175.29
IUPAC Name4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate
SMILESC=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=CC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(=O)C12CC3CC(C1)CC(C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CC2CCC1C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CCCCC1
InChIInChI=1S/C19H23F6O7S2.C17H21F6O7S2.C17H19F6O7S2.C17H21F6O6S2.C14H17F6O6S2.C13H17F6O6S2.2C10H11F6O6S2.C9H9F6O6S2/c1-10(3-14(33(28,29)18(20,21)22)34(30,31)19(23,24)25)32-15(27)17-7-12-4-13(8-17)6-16(5-12,9-17)11(2)26;1-9(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-13(24)14-4-10-3-11(5-14)7-15(25,6-10)8-14;1-8(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-14(25)15-5-9-3-10(6-15)13(24)11(4-9)7-15;1-9(2-13(30(25,26)16(18,19)20)31(27,28)17(21,22)23)29-14(24)15-6-10-3-11(7-15)5-12(4-10)8-15;1-7(26-12(21)10-6-8-2-3-9(10)5-8)4-11(27(22,23)13(15,16)17)28(24,25)14(18,19)20;1-8(25-11(20)9-5-3-2-4-6-9)7-10(26(21,22)12(14,15)16)27(23,24)13(17,18)19;2*1-5(2)8(17)22-6(3)4-7(23(18,19)9(11,12)13)24(20,21)10(14,15)16;1-3-6(16)21-5(2)4-7(22(17,18)8(10,11)12)23(19,20)9(13,14)15/h10,12-13H,3-9H2,1-2H3;9-11,25H,2-8H2,1H3;8-11H,2-7H2,1H3;9-12H,2-8H2,1H3;7-10H,2-6H2,1H3;8-9H,2-7H2,1H3;2*6H,1,4H2,2-3H3;3,5H,1,4H2,2H3/q9*-1
InChIKeyJSDXVLSPDGWDQC-UHFFFAOYSA-N
XLogP26.48
TPSA905.59 Ų
H-Bond Donors1
H-Bond Acceptors57
Rotatable Bonds55
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004178.62
LogP ≤ 526.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1057

Analyze 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate with MolForge

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Related Compounds

4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-hydroxycyclohexane-1-carboxylate
CID 58195738
4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate;triphenylsulfanium
CID 157452640
3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;3-[2-(1-adamantyl)acetyl]oxy-2,2-difluoro-4-methylpentanoate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-2,2-difluoro-4-methylpentanoate;3-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)-2,2-difluoro-4-methylpentanoate;2,2-difluoro-3-(3-hydroxyadamantane-1-carbonyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)pentanoate;2,2-difluoro-4-methyl-3-(4-oxoadamantane-1-carbonyl)oxypentanoate;2,2-difluoro-4-methyl-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypentanoate
CID 159267480
[1,1,1-trifluoro-6-methyl-4-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)heptan-2-yl] 4-oxoadamantane-1-carboxylate
CID 121355189
(2-hydroxy-3-prop-2-enoyloxybutyl) 3-hydroxyadamantane-1-carboxylate
CID 174778002
1,1,1-trifluoropropan-2-yl 3-hydroxyadamantane-1-carboxylate
CID 118258801
4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate
CID 58195691
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 3-hydroxyadamantane-1-carboxylate
CID 118892950
2-[2-(adamantane-1-carbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-benzoyloxy-4-methylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclopentanecarbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(2-methylpropanoyloxy)benzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(4-oxoadamantane-1-carbonyl)oxybenzoyl]oxypropane-1-sulfonate
CID 162191336
tris(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;bis((4-tert-butylphenyl)-diphenylsulfanium);2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis((4-methylphenyl)-diphenylsulfanium);1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodecane-4-carbonyloxy)propane-1-sulfonate;octakis(triphenylsulfanium)
CID 160716798
1-(methanesulfonamido)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate
CID 71851835
[(2R)-1-(methanesulfonamido)propan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98787940

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate?
The IUPAC name of 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate (CID 159008041) is 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate.
What is the SMILES notation for 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate?
The canonical SMILES for 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate is C=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=C(C)C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C=CC(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC(=O)C12CC3CC(C1)CC(C(=O)OC(C)C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CC2CCC1C2.CC(C[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CCCCC1.
What is the InChIKey of 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate?
The InChIKey is JSDXVLSPDGWDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6O7S2.C17H21F6O7S2.C17H19F6O7S2.C17H21F6O6S2.C14H17F6O6S2.C13H17F6O6S2.2C10H11F6O6S2.C9H9F6O6S2/c1-10(3-14(33(28,29)18(20,21)22)34(30,31)19(23,24)25)32-15(27)17-7-12-4-13(8-17)6-16(5-12,9-17)11(2)26;1-9(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-13(24)14-4-10-3-11(5-14)7-15(25,6-10)8-14;1-8(2-12(31(26,27)16(18,19)20)32(28,29)17(21,22)23)30-14(25)15-5-9-3-10(6-15)13(24)11(4-9)7-15;1-9(2-13(30(25,26)16(18,19)20)31(27,28)17(21,22)23)29-14(24)15-6-10-3-11(7-15)5-12(4-10)8-15;1-7(26-12(21)10-6-8-2-3-9(10)5-8)4-11(27(22,23)13(15,16)17)28(24,25)14(18,19)20;1-8(25-11(20)9-5-3-2-4-6-9)7-10(26(21,22)12(14,15)16)27(23,24)13(17,18)19;2*1-5(2)8(17)22-6(3)4-7(23(18,19)9(11,12)13)24(20,21)10(14,15)16;1-3-6(16)21-5(2)4-7(22(17,18)8(10,11)12)23(19,20)9(13,14)15/h10,12-13H,3-9H2,1-2H3;9-11,25H,2-8H2,1H3;8-11H,2-7H2,1H3;9-12H,2-8H2,1H3;7-10H,2-6H2,1H3;8-9H,2-7H2,1H3;2*6H,1,4H2,2-3H3;3,5H,1,4H2,2H3/q9*-1.
What are the key properties of 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate?
4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate has a molecular weight of 4178.62 g/mol, XLogP of 26.48, 55 rotatable bonds, 1 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-acetyladamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl adamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl cyclohexanecarboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl 3-hydroxyadamantane-1-carboxylate;bis(4,4-bis(trifluoromethylsulfonyl)butan-2-yl 2-methylprop-2-enoate);4,4-bis(trifluoromethylsulfonyl)butan-2-yl 4-oxoadamantane-1-carboxylate;4,4-bis(trifluoromethylsulfonyl)butan-2-yl prop-2-enoate is sourced from PubChem (CID 159008041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).