(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate

C256H236F46N2O63 — CID 160798717

IUPAC(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCOC(=O)C(=C)C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCCc1ccc2cc(C(=O)Oc3ccc(OCCC)c4c3OC(F)(F)O4)ccc2c1.C=COCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCOC=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.O=C(Oc1ccc(OC(=O)c2ccc(OCCCCCN3C(=O)C=CC3=O)cc2F)c(C(F)(F)F)c1C(F)(F)F)c1ccc(OCCCCCN2C(=O)C=CC2=O)cc1F
InChIInChI=1S/C40H32F8N2O10.C40H38F8O10.C40H42F8O8.C40H44F6O8.C36H30F8O10.C34H28F6O10.C26H22F2O7/c41-27-21-23(57-19-5-1-3-17-49-31(51)13-14-32(49)52)7-9-25(27)37(55)59-29-11-12-30(36(40(46,47)48)35(29)39(43,44)45)60-38(56)26-10-8-24(22-28(26)42)58-20-6-2-4-18-50-33(53)15-16-34(50)54;1-3-33(49)55-21-11-7-5-9-19-53-25-13-15-27(29(41)23-25)37(51)57-31-17-18-32(36(40(46,47)48)35(31)39(43,44)45)58-38(52)28-16-14-26(24-30(28)42)54-20-10-6-8-12-22-56-34(50)4-2;1-3-5-6-7-8-9-12-21-52-26-15-17-28(30(41)24-26)37(50)55-32-19-20-33(36(40(46,47)48)35(32)39(43,44)45)56-38(51)29-18-16-27(25-31(29)42)53-22-13-10-11-14-23-54-34(49)4-2;1-3-49-25-11-7-5-9-13-27-51-31-19-15-29(16-20-31)37(47)53-33-23-24-34(36(40(44,45)46)35(33)39(41,42)43)54-38(48)30-17-21-32(22-18-30)52-28-14-10-6-8-12-26-50-4-2;1-3-29(45)51-17-7-5-15-49-25-11-9-21(19-23(25)37)33(47)53-27-13-14-28(32(36(42,43)44)31(27)35(39,40)41)54-34(48)22-10-12-26(24(38)20-22)50-16-6-8-18-52-30(46)4-2;1-19(2)29(41)47-17-15-45-23-9-5-21(6-10-23)31(43)49-25-13-14-26(28(34(38,39)40)27(25)33(35,36)37)50-32(44)22-7-11-24(12-8-22)46-16-18-48-30(42)20(3)4;1-3-12-31-20-9-10-21(24-23(20)34-26(27,28)35-24)33-25(30)19-8-7-17-14-16(5-6-18(17)15-19)11-13-32-22(29)4-2/h7-16,21-22H,1-6,17-20H2;3-4,13-18,23-24H,1-2,5-12,19-22H2;4,15-20,24-25H,2-3,5-14,21-23H2,1H3;3-4,15-24H,1-2,5-14,25-28H2;3-4,9-14,19-20H,1-2,5-8,15-18H2;5-14H,1,3,15-18H2,2,4H3;4-10,14-15H,2-3,11-13H2,1H3
InChIKeySCTXPYHUWBVEHU-UHFFFAOYSA-N
MW5222.56 g/mol
LogP60.36
Rot. Bonds127

About (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate

(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate (PubChem CID 160798717) has the molecular formula C256H236F46N2O63 and a molecular weight of 5222.56 g/mol. Its IUPAC name is (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate.

Molecular Properties

Compound Name(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
PubChem CID160798717
Molecular FormulaC256H236F46N2O63
Molecular Weight5222.56 g/mol
Exact Mass5219.46
IUPAC Name(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
SMILESC=C(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCOC(=O)C(=C)C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCCc1ccc2cc(C(=O)Oc3ccc(OCCC)c4c3OC(F)(F)O4)ccc2c1.C=COCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCOC=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.O=C(Oc1ccc(OC(=O)c2ccc(OCCCCCN3C(=O)C=CC3=O)cc2F)c(C(F)(F)F)c1C(F)(F)F)c1ccc(OCCCCCN2C(=O)C=CC2=O)cc1F
InChIInChI=1S/C40H32F8N2O10.C40H38F8O10.C40H42F8O8.C40H44F6O8.C36H30F8O10.C34H28F6O10.C26H22F2O7/c41-27-21-23(57-19-5-1-3-17-49-31(51)13-14-32(49)52)7-9-25(27)37(55)59-29-11-12-30(36(40(46,47)48)35(29)39(43,44)45)60-38(56)26-10-8-24(22-28(26)42)58-20-6-2-4-18-50-33(53)15-16-34(50)54;1-3-33(49)55-21-11-7-5-9-19-53-25-13-15-27(29(41)23-25)37(51)57-31-17-18-32(36(40(46,47)48)35(31)39(43,44)45)58-38(52)28-16-14-26(24-30(28)42)54-20-10-6-8-12-22-56-34(50)4-2;1-3-5-6-7-8-9-12-21-52-26-15-17-28(30(41)24-26)37(50)55-32-19-20-33(36(40(46,47)48)35(32)39(43,44)45)56-38(51)29-18-16-27(25-31(29)42)53-22-13-10-11-14-23-54-34(49)4-2;1-3-49-25-11-7-5-9-13-27-51-31-19-15-29(16-20-31)37(47)53-33-23-24-34(36(40(44,45)46)35(33)39(41,42)43)54-38(48)30-17-21-32(22-18-30)52-28-14-10-6-8-12-26-50-4-2;1-3-29(45)51-17-7-5-15-49-25-11-9-21(19-23(25)37)33(47)53-27-13-14-28(32(36(42,43)44)31(27)35(39,40)41)54-34(48)22-10-12-26(24(38)20-22)50-16-6-8-18-52-30(46)4-2;1-19(2)29(41)47-17-15-45-23-9-5-21(6-10-23)31(43)49-25-13-14-26(28(34(38,39)40)27(25)33(35,36)37)50-32(44)22-7-11-24(12-8-22)46-16-18-48-30(42)20(3)4;1-3-12-31-20-9-10-21(24-23(20)34-26(27,28)35-24)33-25(30)19-8-7-17-14-16(5-6-18(17)15-19)11-13-32-22(29)4-2/h7-16,21-22H,1-6,17-20H2;3-4,13-18,23-24H,1-2,5-12,19-22H2;4,15-20,24-25H,2-3,5-14,21-23H2,1H3;3-4,15-24H,1-2,5-14,25-28H2;3-4,9-14,19-20H,1-2,5-8,15-18H2;5-14H,1,3,15-18H2,2,4H3;4-10,14-15H,2-3,11-13H2,1H3
InChIKeySCTXPYHUWBVEHU-UHFFFAOYSA-N
XLogP60.36
TPSA783.97 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds127
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005222.56
LogP ≤ 560.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate?
The IUPAC name of (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate (CID 160798717) is (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate.
What is the SMILES notation for (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate?
The canonical SMILES for (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate is C=C(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCOC(=O)C(=C)C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3F)c(C(F)(F)F)c2C(F)(F)F)c(F)c1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3)c(C(F)(F)F)c2C(F)(F)F)cc1F.C=CC(=O)OCCc1ccc2cc(C(=O)Oc3ccc(OCCC)c4c3OC(F)(F)O4)ccc2c1.C=COCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCOC=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.O=C(Oc1ccc(OC(=O)c2ccc(OCCCCCN3C(=O)C=CC3=O)cc2F)c(C(F)(F)F)c1C(F)(F)F)c1ccc(OCCCCCN2C(=O)C=CC2=O)cc1F.
What is the InChIKey of (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate?
The InChIKey is SCTXPYHUWBVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F8N2O10.C40H38F8O10.C40H42F8O8.C40H44F6O8.C36H30F8O10.C34H28F6O10.C26H22F2O7/c41-27-21-23(57-19-5-1-3-17-49-31(51)13-14-32(49)52)7-9-25(27)37(55)59-29-11-12-30(36(40(46,47)48)35(29)39(43,44)45)60-38(56)26-10-8-24(22-28(26)42)58-20-6-2-4-18-50-33(53)15-16-34(50)54;1-3-33(49)55-21-11-7-5-9-19-53-25-13-15-27(29(41)23-25)37(51)57-31-17-18-32(36(40(46,47)48)35(31)39(43,44)45)58-38(52)28-16-14-26(24-30(28)42)54-20-10-6-8-12-22-56-34(50)4-2;1-3-5-6-7-8-9-12-21-52-26-15-17-28(30(41)24-26)37(50)55-32-19-20-33(36(40(46,47)48)35(32)39(43,44)45)56-38(51)29-18-16-27(25-31(29)42)53-22-13-10-11-14-23-54-34(49)4-2;1-3-49-25-11-7-5-9-13-27-51-31-19-15-29(16-20-31)37(47)53-33-23-24-34(36(40(44,45)46)35(33)39(41,42)43)54-38(48)30-17-21-32(22-18-30)52-28-14-10-6-8-12-26-50-4-2;1-3-29(45)51-17-7-5-15-49-25-11-9-21(19-23(25)37)33(47)53-27-13-14-28(32(36(42,43)44)31(27)35(39,40)41)54-34(48)22-10-12-26(24(38)20-22)50-16-6-8-18-52-30(46)4-2;1-19(2)29(41)47-17-15-45-23-9-5-21(6-10-23)31(43)49-25-13-14-26(28(34(38,39)40)27(25)33(35,36)37)50-32(44)22-7-11-24(12-8-22)46-16-18-48-30(42)20(3)4;1-3-12-31-20-9-10-21(24-23(20)34-26(27,28)35-24)33-25(30)19-8-7-17-14-16(5-6-18(17)15-19)11-13-32-22(29)4-2/h7-16,21-22H,1-6,17-20H2;3-4,13-18,23-24H,1-2,5-12,19-22H2;4,15-20,24-25H,2-3,5-14,21-23H2,1H3;3-4,15-24H,1-2,5-14,25-28H2;3-4,9-14,19-20H,1-2,5-8,15-18H2;5-14H,1,3,15-18H2,2,4H3;4-10,14-15H,2-3,11-13H2,1H3.
What are the key properties of (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate?
(2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate has a molecular weight of 5222.56 g/mol, XLogP of 60.36, 127 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-7-propoxy-1,3-benzodioxol-4-yl) 6-(2-prop-2-enoyloxyethyl)naphthalene-2-carboxylate;[4-[4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[5-(2,5-dioxopyrrol-1-yl)pentoxy]-2-fluorobenzoate;[4-[4-(7-ethenoxyheptoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(7-ethenoxyheptoxy)benzoate;[4-[3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 3-fluoro-4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-nonoxybenzoate;[4-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate is sourced from PubChem (CID 160798717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).