(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

C148H197F57O38 — CID 157198306

IUPAC(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(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)OC(C)(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)(C1CCCC1)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C1CCCC1)C(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)OCC.C=C(C)C(=O)OCC(C)(O)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.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/C16H19F9O4.C15H17F9O4.C14H21F3O3.C13H19F3O3.C12H14F6O3.C10H15F3O3.C9H13F3O3.3C8H9F5O.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;1-9(2)11(18)20-12(3,10-7-5-6-8-10)13(4,19)14(15,16)17;1-8(2)11(17)19-10(9-6-4-5-7-9)12(3,18)13(14,15)16;1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;1-6(2)7(14)16-8(3,4)9(5,15)10(11,12)13;1-5(2)7(13)15-6(3)8(4,14)9(10,11)12;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/h8-10,27-28H,1,4-6H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;10,19H,1,5-8H2,2-4H3;9-10,18H,1,4-7H2,2-3H3;2,7-8,20H,1,3-6H2;15H,1H2,2-5H3;6,14H,1H2,2-4H3;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
InChIKeyAQMSHKGHKUGVLF-UHFFFAOYSA-N
MW3667.05 g/mol
LogP34.32
Rot. Bonds33

About (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (PubChem CID 157198306) has the molecular formula C148H197F57O38 and a molecular weight of 3667.05 g/mol. Its IUPAC name is (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
PubChem CID157198306
Molecular FormulaC148H197F57O38
Molecular Weight3667.05 g/mol
Exact Mass3665.26
IUPAC Name(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(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)OC(C)(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)(C1CCCC1)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C1CCCC1)C(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)OCC.C=C(C)C(=O)OCC(C)(O)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.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/C16H19F9O4.C15H17F9O4.C14H21F3O3.C13H19F3O3.C12H14F6O3.C10H15F3O3.C9H13F3O3.3C8H9F5O.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;1-9(2)11(18)20-12(3,10-7-5-6-8-10)13(4,19)14(15,16)17;1-8(2)11(17)19-10(9-6-4-5-7-9)12(3,18)13(14,15)16;1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;1-6(2)7(14)16-8(3,4)9(5,15)10(11,12)13;1-5(2)7(13)15-6(3)8(4,14)9(10,11)12;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/h8-10,27-28H,1,4-6H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;10,19H,1,5-8H2,2-4H3;9-10,18H,1,4-7H2,2-3H3;2,7-8,20H,1,3-6H2;15H,1H2,2-5H3;6,14H,1H2,2-4H3;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
InChIKeyAQMSHKGHKUGVLF-UHFFFAOYSA-N
XLogP34.32
TPSA598.82 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003667.05
LogP ≤ 534.32
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(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 (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (CID 157198306) is (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(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)OC(C)(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)(C1CCCC1)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(C1CCCC1)C(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)OCC.C=C(C)C(=O)OCC(C)(O)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.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 (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The InChIKey is AQMSHKGHKUGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F9O4.C15H17F9O4.C14H21F3O3.C13H19F3O3.C12H14F6O3.C10H15F3O3.C9H13F3O3.3C8H9F5O.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;1-9(2)11(18)20-12(3,10-7-5-6-8-10)13(4,19)14(15,16)17;1-8(2)11(17)19-10(9-6-4-5-7-9)12(3,18)13(14,15)16;1-2-9(19)21-8-6-4-3-5-7(8)10(20,11(13,14)15)12(16,17)18;1-6(2)7(14)16-8(3,4)9(5,15)10(11,12)13;1-5(2)7(13)15-6(3)8(4,14)9(10,11)12;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/h8-10,27-28H,1,4-6H2,2-3H3;3,7-9,26-27H,1,4-6H2,2H3;10,19H,1,5-8H2,2-4H3;9-10,18H,1,4-7H2,2-3H3;2,7-8,20H,1,3-6H2;15H,1H2,2-5H3;6,14H,1H2,2-4H3;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 (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
(2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate has a molecular weight of 3667.05 g/mol, XLogP of 34.32, 33 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-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;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-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;bis(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 157198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).