3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate

C109H166F26N8O26S8-8 — CID 157178312

IUPAC3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate
SMILESC=C/C=C/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.C=CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.O=C1C2CC3CC1CC(C([O-])=NS(=O)(=O)C(F)(F)C(F)(F)F)(C3)C2.O=S(=O)(N=C([O-])C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C22H42F3NO3S.C21H40F3NO3S.C20H38F3NO3S.C13H14F5NO4S.C12H16F3NO4S.C8H8F3NO3S.C7H8F3NO3S.C6H8F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(27)26-30(28,29)22(23,24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(26)25-29(27,28)21(22,23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23;14-12(15,16)13(17,18)24(22,23)19-10(21)11-3-6-1-7(4-11)9(20)8(2-6)5-11;13-12(14,15)21(19,20)16-9(17)10-2-7-1-8(3-10)5-11(18,4-7)6-10;1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11;1-2-3-4-5-6(12)11-15(13,14)7(8,9)10;1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2-20H2,1H3,(H,26,27);2-19H2,1H3,(H,25,26);2-18H2,1H3,(H,24,25);6-8H,1-5H2,(H,19,21);7-8,18H,1-6H2,(H,16,17);2-6H,1H2,(H,12,13);2,4-5H,1,3H2,(H,11,12);3-4H,2H2,1H3,(H,10,11)/p-8/b;;;;;4-3+,6-5+;5-4+;4-3+
InChIKeyAOGWTDYRCLKFFV-GPINIFQASA-F
MW2755.04 g/mol
LogP24.64
Rot. Bonds73

About 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate

3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate (PubChem CID 157178312) has the molecular formula C109H166F26N8O26S8-8 and a molecular weight of 2755.04 g/mol. Its IUPAC name is 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate.

Molecular Properties

Compound Name3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate
PubChem CID157178312
Molecular FormulaC109H166F26N8O26S8-8
Molecular Weight2755.04 g/mol
Exact Mass2752.93
IUPAC Name3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate
SMILESC=C/C=C/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.C=CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.O=C1C2CC3CC1CC(C([O-])=NS(=O)(=O)C(F)(F)C(F)(F)F)(C3)C2.O=S(=O)(N=C([O-])C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C22H42F3NO3S.C21H40F3NO3S.C20H38F3NO3S.C13H14F5NO4S.C12H16F3NO4S.C8H8F3NO3S.C7H8F3NO3S.C6H8F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(27)26-30(28,29)22(23,24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(26)25-29(27,28)21(22,23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23;14-12(15,16)13(17,18)24(22,23)19-10(21)11-3-6-1-7(4-11)9(20)8(2-6)5-11;13-12(14,15)21(19,20)16-9(17)10-2-7-1-8(3-10)5-11(18,4-7)6-10;1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11;1-2-3-4-5-6(12)11-15(13,14)7(8,9)10;1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2-20H2,1H3,(H,26,27);2-19H2,1H3,(H,25,26);2-18H2,1H3,(H,24,25);6-8H,1-5H2,(H,19,21);7-8,18H,1-6H2,(H,16,17);2-6H,1H2,(H,12,13);2,4-5H,1,3H2,(H,11,12);3-4H,2H2,1H3,(H,10,11)/p-8/b;;;;;4-3+,6-5+;5-4+;4-3+
InChIKeyAOGWTDYRCLKFFV-GPINIFQASA-F
XLogP24.64
TPSA593.78 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds73
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002755.04
LogP ≤ 524.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate with MolForge

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Related Compounds

(1Z)-3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate
CID 155621497
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
(E,1Z)-N-(trifluoromethylsulfonyl)octadec-9-enimidate
CID 155621297
dipotassium;4-ethenyl-N-(trifluoromethylsulfonyl)benzenecarboximidate;3-(2-methylprop-2-enoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate
CID 159532347
1-(1-adamantyl)heptan-1-one
CID 12572511
1-(1-adamantyl)hexadecan-1-one
CID 68814604
disodium;bis(3-(2,2-dimethylbutanoyloxy)-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate);3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylbutanoate;bis(nonyl 2-methylbutanoate)
CID 157188444
[4-[ethyl-methyl-[4-(4-phenylbenzenecarbothioyl)phenyl]-λ4-sulfanyl]oxysulfonyl-3,4,4-trifluorobutyl] 3-hydroxyadamantane-1-carboxylate
CID 165388758
(1Z)-6-(3-ethylimidazol-1-ium-1-yl)-N-(trifluoromethylsulfonyl)hexanimidate
CID 177480230
sodium 1,1-difluoro-2-(3-hydroxyadamantane-1-carbonyl)oxyethanesulfonate
CID 59185153
alumane;octadeca-1,3,5-triene;sulfuric acid
CID 175434507
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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate?
The IUPAC name of 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate (CID 157178312) is 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate.
What is the SMILES notation for 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate?
The canonical SMILES for 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate is C=C/C=C/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.C=CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CC/C=C/C([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCCCCCCC([O-])=NS(=O)(=O)C(F)(F)F.O=C1C2CC3CC1CC(C([O-])=NS(=O)(=O)C(F)(F)C(F)(F)F)(C3)C2.O=S(=O)(N=C([O-])C12CC3CC(CC(O)(C3)C1)C2)C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate?
The InChIKey is AOGWTDYRCLKFFV-GPINIFQASA-F. The full InChI is InChI=1S/C22H42F3NO3S.C21H40F3NO3S.C20H38F3NO3S.C13H14F5NO4S.C12H16F3NO4S.C8H8F3NO3S.C7H8F3NO3S.C6H8F3NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(27)26-30(28,29)22(23,24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(26)25-29(27,28)21(22,23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25)24-28(26,27)20(21,22)23;14-12(15,16)13(17,18)24(22,23)19-10(21)11-3-6-1-7(4-11)9(20)8(2-6)5-11;13-12(14,15)21(19,20)16-9(17)10-2-7-1-8(3-10)5-11(18,4-7)6-10;1-2-3-4-5-6-7(13)12-16(14,15)8(9,10)11;1-2-3-4-5-6(12)11-15(13,14)7(8,9)10;1-2-3-4-5(11)10-14(12,13)6(7,8)9/h2-20H2,1H3,(H,26,27);2-19H2,1H3,(H,25,26);2-18H2,1H3,(H,24,25);6-8H,1-5H2,(H,19,21);7-8,18H,1-6H2,(H,16,17);2-6H,1H2,(H,12,13);2,4-5H,1,3H2,(H,11,12);3-4H,2H2,1H3,(H,10,11)/p-8/b;;;;;4-3+,6-5+;5-4+;4-3+.
What are the key properties of 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate?
3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate has a molecular weight of 2755.04 g/mol, XLogP of 24.64, 73 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(trifluoromethylsulfonyl)adamantane-1-carboximidate;4-oxo-N-(1,1,2,2,2-pentafluoroethylsulfonyl)adamantane-1-carboximidate;N-(trifluoromethylsulfonyl)henicosanimidate;(2E,4E)-N-(trifluoromethylsulfonyl)hepta-2,4,6-trienimidate;(2E)-N-(trifluoromethylsulfonyl)hexa-2,5-dienimidate;N-(trifluoromethylsulfonyl)icosanimidate;N-(trifluoromethylsulfonyl)nonadecanimidate;(E)-N-(trifluoromethylsulfonyl)pent-2-enimidate is sourced from PubChem (CID 157178312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).