4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate

C133H170F46O56S12-12 — CID 159439429

IUPAC4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
SMILESCC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].COCCC(F)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=S(=O)([O-])C(F)(F)C(COC12CC3CC(CC(C3)C1)C2)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21F5O5S.C15H21F3O5S.C14H19F5O4S.C13H19F3O4S.C12H17F5O5S.C12H11F5O5S.C11H17F3O5S.C11H11F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S.C5H9F3O4S/c17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13(16,17)11(14(18,19)24(20,21)22)7-23-12-4-8-1-9(5-12)3-10(2-8)6-12;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;2*13-11(14,15)9(12(16,17)23(19,20)21)6-7-22-10(18)8-4-2-1-3-5-8;2*12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14;1-12-3-2-4(6)5(7,8)13(9,10)11/h9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,17,18,19);8-9H,1-7H2,(H,19,20,21);1-5,9H,6-7H2,(H,19,20,21);8-9H,1-7H2,(H,16,17,18);1-5,9H,6-7H2,(H,16,17,18);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14);4H,2-3H2,1H3,(H,9,10,11)/p-12
InChIKeyLRZGQJHEEKKYGM-UHFFFAOYSA-B
MW3923.48 g/mol
LogP25.47
Rot. Bonds68

About 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate

4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate (PubChem CID 159439429) has the molecular formula C133H170F46O56S12-12 and a molecular weight of 3923.48 g/mol. Its IUPAC name is 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate.

Molecular Properties

Compound Name4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
PubChem CID159439429
Molecular FormulaC133H170F46O56S12-12
Molecular Weight3923.48 g/mol
Exact Mass3920.64
IUPAC Name4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate
SMILESCC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].COCCC(F)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=S(=O)([O-])C(F)(F)C(COC12CC3CC(CC(C3)C1)C2)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21F5O5S.C15H21F3O5S.C14H19F5O4S.C13H19F3O4S.C12H17F5O5S.C12H11F5O5S.C11H17F3O5S.C11H11F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S.C5H9F3O4S/c17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13(16,17)11(14(18,19)24(20,21)22)7-23-12-4-8-1-9(5-12)3-10(2-8)6-12;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;2*13-11(14,15)9(12(16,17)23(19,20)21)6-7-22-10(18)8-4-2-1-3-5-8;2*12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14;1-12-3-2-4(6)5(7,8)13(9,10)11/h9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,17,18,19);8-9H,1-7H2,(H,19,20,21);1-5,9H,6-7H2,(H,19,20,21);8-9H,1-7H2,(H,16,17,18);1-5,9H,6-7H2,(H,16,17,18);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14);4H,2-3H2,1H3,(H,9,10,11)/p-12
InChIKeyLRZGQJHEEKKYGM-UHFFFAOYSA-B
XLogP25.47
TPSA933.72 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds68
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003923.48
LogP ≤ 525.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The IUPAC name of 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate (CID 159439429) is 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate.
What is the SMILES notation for 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The canonical SMILES for 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate is CC(=O)OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-].COCCC(F)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CC1C1CCCC21.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=S(=O)([O-])C(F)(F)C(COC12CC3CC(CC(C3)C1)C2)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)CCOC1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
The InChIKey is LRZGQJHEEKKYGM-UHFFFAOYSA-B. The full InChI is InChI=1S/C16H21F5O5S.C15H21F3O5S.C14H19F5O4S.C13H19F3O4S.C12H17F5O5S.C12H11F5O5S.C11H17F3O5S.C11H11F3O5S.C10H17F3O4S.C7H9F5O5S.C7H11F3O5S.C5H9F3O4S/c17-15(18,19)12(16(20,21)27(23,24)25)1-2-26-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;16-13(15(17,18)24(20,21)22)4-5-23-14(19)12-7-8-6-11(12)10-3-1-2-9(8)10;15-13(16,17)11(14(18,19)24(20,21)22)7-23-12-4-8-1-9(5-12)3-10(2-8)6-12;14-11(13(15,16)21(17,18)19)7-20-12-4-8-1-9(5-12)3-10(2-8)6-12;2*13-11(14,15)9(12(16,17)23(19,20)21)6-7-22-10(18)8-4-2-1-3-5-8;2*12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8;11-9(10(12,13)18(14,15)16)6-7-17-8-4-2-1-3-5-8;1-4(13)17-3-2-5(6(8,9)10)7(11,12)18(14,15)16;1-2-6(11)15-4-3-5(8)7(9,10)16(12,13)14;1-12-3-2-4(6)5(7,8)13(9,10)11/h9-12H,1-8H2,(H,23,24,25);8-13H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,20,21,22);8-11H,1-7H2,(H,17,18,19);8-9H,1-7H2,(H,19,20,21);1-5,9H,6-7H2,(H,19,20,21);8-9H,1-7H2,(H,16,17,18);1-5,9H,6-7H2,(H,16,17,18);8-9H,1-7H2,(H,14,15,16);5H,2-3H2,1H3,(H,14,15,16);5H,2-4H2,1H3,(H,12,13,14);4H,2-3H2,1H3,(H,9,10,11)/p-12.
What are the key properties of 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate?
4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate has a molecular weight of 3923.48 g/mol, XLogP of 25.47, 68 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;2-(1-adamantyloxymethyl)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(1-adamantyloxy)-1,1,2-trifluoropropane-1-sulfonate;4-benzoyloxy-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-benzoyloxy-1,1,2-trifluorobutane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1-difluoro-2-(trifluoromethyl)butane-1-sulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;4-cyclohexyloxy-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-4-methoxybutane-1-sulfonate;1,1,2-trifluoro-4-propanoyloxybutane-1-sulfonate;1,1,2-trifluoro-4-(tricyclo[5.2.1.02,6]decane-8-carbonyloxy)butane-1-sulfonate is sourced from PubChem (CID 159439429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).