2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate

C132H129F8NO24S4-4 — CID 158035994

IUPAC2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate
SMILESCC(C)(C)c1ccc2c(c1)C1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C2c2cc(C(C)(C)C)ccc21.CC(F)(F)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.CC(F)(F)COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(C)(C)C.CC1(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC2c3ccccc3C1c1ccccc12.O=C(CS(=O)(=O)[O-])OCC1CC2c3ccccc3C1c1ccccc12.O=C(OCCS(=O)(=O)[O-])C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C27H32F2O5S.C24H26F2O2.C23H21F2NO2.C20H18F2O5S.2C19H18O5S/c1-25(2,3)15-8-10-18-19(11-15)20-13-22(24(30)34-14-27(28,29)35(31,32)33)23(18)21-12-16(26(4,5)6)7-9-17(20)21;1-23(2,3)21-19-16-11-7-5-9-14(16)18(15-10-6-8-12-17(15)19)20(21)22(27)28-13-24(4,25)26;1-23(24,25)11-6-12-26-21(27)19-17-13-7-2-3-8-14(13)18(20(19)22(26)28)16-10-5-4-9-15(16)17;1-19(18(23)27-11-20(21,22)28(24,25)26)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16;20-18(11-25(21,22)23)24-10-12-9-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17;20-19(24-9-10-25(21,22)23)17-11-16-12-5-1-3-7-14(12)18(17)15-8-4-2-6-13(15)16/h7-12,20,22-23H,13-14H2,1-6H3,(H,31,32,33);5-12,18-21H,13H2,1-4H3;2-5,7-10,17-20H,6,11-12H2,1H3;2-9,16-17H,10-11H2,1H3,(H,24,25,26);1-8,12,17,19H,9-11H2,(H,21,22,23);1-8,16-18H,9-11H2,(H,21,22,23)/p-4
InChIKeyFHTCTNFQACZRSH-UHFFFAOYSA-J
MW2393.72 g/mol
LogP23.73
Rot. Bonds23

About 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate

2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate (PubChem CID 158035994) has the molecular formula C132H129F8NO24S4-4 and a molecular weight of 2393.72 g/mol. Its IUPAC name is 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate.

Molecular Properties

Compound Name2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate
PubChem CID158035994
Molecular FormulaC132H129F8NO24S4-4
Molecular Weight2393.72 g/mol
Exact Mass2391.77
IUPAC Name2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate
SMILESCC(C)(C)c1ccc2c(c1)C1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C2c2cc(C(C)(C)C)ccc21.CC(F)(F)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.CC(F)(F)COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(C)(C)C.CC1(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC2c3ccccc3C1c1ccccc12.O=C(CS(=O)(=O)[O-])OCC1CC2c3ccccc3C1c1ccccc12.O=C(OCCS(=O)(=O)[O-])C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C27H32F2O5S.C24H26F2O2.C23H21F2NO2.C20H18F2O5S.2C19H18O5S/c1-25(2,3)15-8-10-18-19(11-15)20-13-22(24(30)34-14-27(28,29)35(31,32)33)23(18)21-12-16(26(4,5)6)7-9-17(20)21;1-23(2,3)21-19-16-11-7-5-9-14(16)18(15-10-6-8-12-17(15)19)20(21)22(27)28-13-24(4,25)26;1-23(24,25)11-6-12-26-21(27)19-17-13-7-2-3-8-14(13)18(20(19)22(26)28)16-10-5-4-9-15(16)17;1-19(18(23)27-11-20(21,22)28(24,25)26)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16;20-18(11-25(21,22)23)24-10-12-9-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17;20-19(24-9-10-25(21,22)23)17-11-16-12-5-1-3-7-14(12)18(17)15-8-4-2-6-13(15)16/h7-12,20,22-23H,13-14H2,1-6H3,(H,31,32,33);5-12,18-21H,13H2,1-4H3;2-5,7-10,17-20H,6,11-12H2,1H3;2-9,16-17H,10-11H2,1H3,(H,24,25,26);1-8,12,17,19H,9-11H2,(H,21,22,23);1-8,16-18H,9-11H2,(H,21,22,23)/p-4
InChIKeyFHTCTNFQACZRSH-UHFFFAOYSA-J
XLogP23.73
TPSA397.68 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002393.72
LogP ≤ 523.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate with MolForge

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Launch Full Analysis

Related Compounds

17-(4,4-Difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;1-(2,2-difluoropropyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;1,1-difluoro-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanesulfonate;[3-methyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;1,1,2-trifluoro-4-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)butane-1-sulfonic acid;bis(triphenylsulfanium)
CID 159213795
2-(4,11-Ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 160526467
Tetrakis(benzyl(trimethyl)azanium);difluoromethane;difluoromethanesulfonate;15-(difluoromethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;17-(3,3-difluoropropyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;1-(2-fluoroethyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene;fluoromethane;1,1,2-trifluoro-4-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)butane-1-sulfonate;sulfite
CID 161242684
2,2-Difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-carboxylate;17-propyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 167688526

Frequently Asked Questions

What is the IUPAC name of 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate?
The IUPAC name of 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate (CID 158035994) is 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate.
What is the SMILES notation for 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate?
The canonical SMILES for 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate is CC(C)(C)c1ccc2c(c1)C1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])C2c2cc(C(C)(C)C)ccc21.CC(F)(F)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O.CC(F)(F)COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(C)(C)C.CC1(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC2c3ccccc3C1c1ccccc12.O=C(CS(=O)(=O)[O-])OCC1CC2c3ccccc3C1c1ccccc12.O=C(OCCS(=O)(=O)[O-])C1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate?
The InChIKey is FHTCTNFQACZRSH-UHFFFAOYSA-J. The full InChI is InChI=1S/C27H32F2O5S.C24H26F2O2.C23H21F2NO2.C20H18F2O5S.2C19H18O5S/c1-25(2,3)15-8-10-18-19(11-15)20-13-22(24(30)34-14-27(28,29)35(31,32)33)23(18)21-12-16(26(4,5)6)7-9-17(20)21;1-23(2,3)21-19-16-11-7-5-9-14(16)18(15-10-6-8-12-17(15)19)20(21)22(27)28-13-24(4,25)26;1-23(24,25)11-6-12-26-21(27)19-17-13-7-2-3-8-14(13)18(20(19)22(26)28)16-10-5-4-9-15(16)17;1-19(18(23)27-11-20(21,22)28(24,25)26)10-16-12-6-2-4-8-14(12)17(19)15-9-5-3-7-13(15)16;20-18(11-25(21,22)23)24-10-12-9-17-13-5-1-3-7-15(13)19(12)16-8-4-2-6-14(16)17;20-19(24-9-10-25(21,22)23)17-11-16-12-5-1-3-7-14(12)18(17)15-8-4-2-6-13(15)16/h7-12,20,22-23H,13-14H2,1-6H3,(H,31,32,33);5-12,18-21H,13H2,1-4H3;2-5,7-10,17-20H,6,11-12H2,1H3;2-9,16-17H,10-11H2,1H3,(H,24,25,26);1-8,12,17,19H,9-11H2,(H,21,22,23);1-8,16-18H,9-11H2,(H,21,22,23)/p-4.
What are the key properties of 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate?
2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate has a molecular weight of 2393.72 g/mol, XLogP of 23.73, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,11-ditert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)oxyethanesulfonate;17-(4,4-difluoropentyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;2,2-difluoropropyl 16-tert-butyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate;2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanesulfonate;2-(tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyloxy)ethanesulfonate is sourced from PubChem (CID 158035994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).