tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

C140H151F63O35 — CID 159510897

IUPACtris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC.C=CC(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=CC(=O)OC1CCCCC1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C16H13F9O4.C15H17F9O4.2C13H10F6O3.C12H14F6O3.C12H8F6O3.3C8H9F5O.C8H11F3O3.C7H9F3O.C6H10O2.2C5H8O2.C4H6O2/c1-7(2)11(26)29-10-5-8(12(3,27)14(17,18)19)4-9(6-10)13(28,15(20,21)22)16(23,24)25;1-3-10(25)28-9-5-7(11(2,26)13(16,17)18)4-8(6-9)12(27,14(19,20)21)15(22,23)24;2*1-7(2)10(20)22-9-6-4-3-5-8(9)11(21,12(14,15)16)13(17,18)19;2*1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;3*9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13;1-5(2)6(12)14-4-7(3,13)8(9,10)11;8-6(9)4-1-2-5(3-4)7(6,10)11;1-4-8-6(7)5(2)3;2*1-4(2)5(6)7-3;1-3-4(5)6-2/h4-6,27-28H,1H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;2*3-6,21H,1H2,2H3;2,7-8,20H,1,3-6H2;2-6,20H,1H2;3*4-5,14H,1-3H2;13H,1,4H2,2-3H3;4-5,11H,1-3H2;2,4H2,1,3H3;2*1H2,2-3H3;3H,1H2,2H3
InChIKeyMAOYMNSZHWKQQD-UHFFFAOYSA-N
MW3590.59 g/mol
LogP34.21
Rot. Bonds28

About tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (PubChem CID 159510897) has the molecular formula C140H151F63O35 and a molecular weight of 3590.59 g/mol. Its IUPAC name is tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Nametris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
PubChem CID159510897
Molecular FormulaC140H151F63O35
Molecular Weight3590.59 g/mol
Exact Mass3588.90
IUPAC Nametris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC.C=CC(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=CC(=O)OC1CCCCC1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C16H13F9O4.C15H17F9O4.2C13H10F6O3.C12H14F6O3.C12H8F6O3.3C8H9F5O.C8H11F3O3.C7H9F3O.C6H10O2.2C5H8O2.C4H6O2/c1-7(2)11(26)29-10-5-8(12(3,27)14(17,18)19)4-9(6-10)13(28,15(20,21)22)16(23,24)25;1-3-10(25)28-9-5-7(11(2,26)13(16,17)18)4-8(6-9)12(27,14(19,20)21)15(22,23)24;2*1-7(2)10(20)22-9-6-4-3-5-8(9)11(21,12(14,15)16)13(17,18)19;2*1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;3*9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13;1-5(2)6(12)14-4-7(3,13)8(9,10)11;8-6(9)4-1-2-5(3-4)7(6,10)11;1-4-8-6(7)5(2)3;2*1-4(2)5(6)7-3;1-3-4(5)6-2/h4-6,27-28H,1H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;2*3-6,21H,1H2,2H3;2,7-8,20H,1,3-6H2;2-6,20H,1H2;3*4-5,14H,1-3H2;13H,1,4H2,2-3H3;4-5,11H,1-3H2;2,4H2,1,3H3;2*1H2,2-3H3;3H,1H2,2H3
InChIKeyMAOYMNSZHWKQQD-UHFFFAOYSA-N
XLogP34.21
TPSA552.29 Ų
H-Bond Donors13
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003590.59
LogP ≤ 534.21
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The IUPAC name of tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (CID 159510897) is tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=C(C)C(=O)OCC(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC.C=CC(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=CC(=O)OC1CCCCC1C(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)Oc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(C(F)(F)F)C2CCC(C2)C1(F)F.OC1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The InChIKey is MAOYMNSZHWKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F9O4.C15H17F9O4.2C13H10F6O3.C12H14F6O3.C12H8F6O3.3C8H9F5O.C8H11F3O3.C7H9F3O.C6H10O2.2C5H8O2.C4H6O2/c1-7(2)11(26)29-10-5-8(12(3,27)14(17,18)19)4-9(6-10)13(28,15(20,21)22)16(23,24)25;1-3-10(25)28-9-5-7(11(2,26)13(16,17)18)4-8(6-9)12(27,14(19,20)21)15(22,23)24;2*1-7(2)10(20)22-9-6-4-3-5-8(9)11(21,12(14,15)16)13(17,18)19;2*1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;3*9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13;1-5(2)6(12)14-4-7(3,13)8(9,10)11;8-6(9)4-1-2-5(3-4)7(6,10)11;1-4-8-6(7)5(2)3;2*1-4(2)5(6)7-3;1-3-4(5)6-2/h4-6,27-28H,1H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;2*3-6,21H,1H2,2H3;2,7-8,20H,1,3-6H2;2-6,20H,1H2;3*4-5,14H,1-3H2;13H,1,4H2,2-3H3;4-5,11H,1-3H2;2,4H2,1,3H3;2*1H2,2-3H3;3H,1H2,2H3.
What are the key properties of tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate has a molecular weight of 3590.59 g/mol, XLogP of 34.21, 28 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol);ethyl 2-methylprop-2-enoate;[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;bis([2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate);[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] prop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 159510897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).