bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate

C148H175F37O45 — CID 158852911

IUPACbis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCCC(C)(O)C(F)(F)F.C=C(C)C(=O)OCCCC(C)(C)O.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)C2.C=C(C)C(=O)Oc1cccc2c1C(=O)CC2.C=C(C)C(=O)Oc1cccc2c1CC(=O)C2.C=C(C)C(=O)Oc1cccc2c1OC(=O)C2
InChIInChI=1S/C16H22F6O3.2C13H12O3.2C12H10O4.2C11H13F5O4.C11H17F3O3.C10H9F7O4.C10H11F5O4.C10H15F3O3.C10H18O3.C9H13F3O3/c1-9(2)12(23)25-14(4,16(20,21)22)11-7-5-10(6-8-11)13(3,24)15(17,18)19;1-8(2)13(15)16-12-5-3-4-9-6-10(14)7-11(9)12;1-8(2)13(15)16-11-5-3-4-9-6-7-10(14)12(9)11;1-7(2)12(14)15-9-4-3-8-5-11(13)16-10(8)6-9;1-7(2)12(14)15-9-5-3-4-8-6-10(13)16-11(8)9;2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-5-8(17-9(15)7(2)3)6-10(4,16)11(12,13)14;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13;1-8(2)9(11)13-7-5-6-10(3,4)12;1-6(2)7(13)15-5-4-8(3,14)9(10,11)12/h10-11,24H,1,5-8H2,2-4H3;2*3-5H,1,6-7H2,2H3;3-4,6H,1,5H2,2H3;3-5H,1,6H2,2H3;2*18H,1,4-5H2,2-3H3;8,16H,2,5-6H2,1,3-4H3;19H,1H2,2-3H3;6,17H,1,3-4H2,2H3;7,15H,1,5H2,2-4H3;12H,1,5-7H2,2-4H3;14H,1,4-5H2,2-3H3
InChIKeyIZRLOJGDOQASCE-UHFFFAOYSA-N
MW3376.91 g/mol
LogP28.26
Rot. Bonds41

About bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate

bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate (PubChem CID 158852911) has the molecular formula C148H175F37O45 and a molecular weight of 3376.91 g/mol. Its IUPAC name is bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate
PubChem CID158852911
Molecular FormulaC148H175F37O45
Molecular Weight3376.91 g/mol
Exact Mass3375.08
IUPAC Namebis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCCC(C)(O)C(F)(F)F.C=C(C)C(=O)OCCCC(C)(C)O.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)C2.C=C(C)C(=O)Oc1cccc2c1C(=O)CC2.C=C(C)C(=O)Oc1cccc2c1CC(=O)C2.C=C(C)C(=O)Oc1cccc2c1OC(=O)C2
InChIInChI=1S/C16H22F6O3.2C13H12O3.2C12H10O4.2C11H13F5O4.C11H17F3O3.C10H9F7O4.C10H11F5O4.C10H15F3O3.C10H18O3.C9H13F3O3/c1-9(2)12(23)25-14(4,16(20,21)22)11-7-5-10(6-8-11)13(3,24)15(17,18)19;1-8(2)13(15)16-12-5-3-4-9-6-10(14)7-11(9)12;1-8(2)13(15)16-11-5-3-4-9-6-7-10(14)12(9)11;1-7(2)12(14)15-9-4-3-8-5-11(13)16-10(8)6-9;1-7(2)12(14)15-9-5-3-4-8-6-10(13)16-11(8)9;2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-5-8(17-9(15)7(2)3)6-10(4,16)11(12,13)14;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13;1-8(2)9(11)13-7-5-6-10(3,4)12;1-6(2)7(13)15-5-4-8(3,14)9(10,11)12/h10-11,24H,1,5-8H2,2-4H3;2*3-5H,1,6-7H2,2H3;3-4,6H,1,5H2,2H3;3-5H,1,6H2,2H3;2*18H,1,4-5H2,2-3H3;8,16H,2,5-6H2,1,3-4H3;19H,1H2,2-3H3;6,17H,1,3-4H2,2H3;7,15H,1,5H2,2-4H3;12H,1,5-7H2,2-4H3;14H,1,4-5H2,2-3H3
InChIKeyIZRLOJGDOQASCE-UHFFFAOYSA-N
XLogP28.26
TPSA647.63 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003376.91
LogP ≤ 528.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[(5S,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxybutanoate
CID 164609731
[(5S,5aR,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 5-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxypentanoate
CID 164623308
[4-[4-[[7-[4-[4-[2,2-Difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate
CID 58776300
[4-[2-(2-Prop-2-enoyloxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)phenyl] 2,2-difluoro-7-[2-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexyl]benzoyl]oxy-1,3-benzodioxole-4-carboxylate
CID 58776328
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 58776399
[7-[2,2-Difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate
CID 58776415
7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate
CID 89383313
5-[1,1,1,3,3,3-Hexafluoro-2-(1-methylidene-3-oxo-5,6-dihydroinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione;methane;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2,5-bis(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione;4-[3-(1-methylidene-3-oxoinden-4-yl)oxy-2-[3-methyl-5-(trifluoromethyl)phenyl]phenoxy]-2-benzofuran-1,3-dione
CID 157093895
methyl 2-[(3S)-6-[[(1R)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate;(1S)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol;4-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 157161762
bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2-methylprop-2-enoate;(1-oxo-3H-2-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-5-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(1-oxo-2,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
CID 157167202
[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylbutanoate;2,3-dihydro-1-benzofuran-3-yl 2,2-dimethylbutanoate;(2-hydroxy-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-4-yl) 2-methylbutanoate;2-methylbutanoic acid;(2-oxo-3H-1-benzofuran-3-yl) 2,2-dimethylbutanoate;(2-oxochromen-4-yl) 2,2-dimethylbutanoate;(2-oxo-3,4-dihydrochromen-4-yl) 2,2-dimethylbutanoate;(3-oxo-1,2-dihydroinden-1-yl) 2,2-dimethylbutanoate;(1,1,1,5,5-pentafluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate
CID 157180362
4-[[7-[[2,6-Difluoro-4-[4-[4-[4-(7-oxonon-8-enyl)phenyl]butyl]phenyl]phenyl]-difluoromethoxy]-2,2-difluoro-1,3-benzodioxol-4-yl]oxy]butyl prop-2-enoate;[4-[2-[4-(2,2-difluoro-7-prop-2-enoyloxy-1,3-benzodioxol-4-yl)cyclohex-3-en-1-yl]-1,3-dioxan-5-yl]cyclohexyl]methyl prop-2-enoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 2,5-difluoro-4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenyl]benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methyl]cyclohexyl]cyclohexane-1-carboxylate;[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)phenyl] 2,2-difluoro-7-[2-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)cyclohexyl]benzoyl]oxy-1,3-benzodioxole-4-carboxylate
CID 157183691

Frequently Asked Questions

What is the IUPAC name of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate (CID 158852911) is bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCC1COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OCCC(C)(O)C(F)(F)F.C=C(C)C(=O)OCCCC(C)(C)O.C=C(C)C(=O)Oc1ccc2c(c1)OC(=O)C2.C=C(C)C(=O)Oc1cccc2c1C(=O)CC2.C=C(C)C(=O)Oc1cccc2c1CC(=O)C2.C=C(C)C(=O)Oc1cccc2c1OC(=O)C2.
What is the InChIKey of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate?
The InChIKey is IZRLOJGDOQASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O3.2C13H12O3.2C12H10O4.2C11H13F5O4.C11H17F3O3.C10H9F7O4.C10H11F5O4.C10H15F3O3.C10H18O3.C9H13F3O3/c1-9(2)12(23)25-14(4,16(20,21)22)11-7-5-10(6-8-11)13(3,24)15(17,18)19;1-8(2)13(15)16-12-5-3-4-9-6-10(14)7-11(9)12;1-8(2)13(15)16-11-5-3-4-9-6-7-10(14)12(9)11;1-7(2)12(14)15-9-4-3-8-5-11(13)16-10(8)6-9;1-7(2)12(14)15-9-5-3-4-8-6-10(13)16-11(8)9;2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-5-8(17-9(15)7(2)3)6-10(4,16)11(12,13)14;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13;1-8(2)9(11)13-7-5-6-10(3,4)12;1-6(2)7(13)15-5-4-8(3,14)9(10,11)12/h10-11,24H,1,5-8H2,2-4H3;2*3-5H,1,6-7H2,2H3;3-4,6H,1,5H2,2H3;3-5H,1,6H2,2H3;2*18H,1,4-5H2,2-3H3;8,16H,2,5-6H2,1,3-4H3;19H,1H2,2-3H3;6,17H,1,3-4H2,2H3;7,15H,1,5H2,2-4H3;12H,1,5-7H2,2-4H3;14H,1,4-5H2,2-3H3.
What are the key properties of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate?
bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 3376.91 g/mol, XLogP of 28.26, 41 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;(4-hydroxy-4-methylpentyl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-6-yl) 2-methylprop-2-enoate;(2-oxo-3H-1-benzofuran-7-yl) 2-methylprop-2-enoate;(2-oxo-1,3-dihydroinden-4-yl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-4-yl) 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 158852911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).