3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate

C183H175F69O33 — CID 163423936

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1COC(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(CC(=O)OC)C(=O)OC.C=Cc1cc(C)cc(C(F)(F)F)c1.C=Cc1cc(F)cc(F)c1.C=Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.C=Cc1ccc(C(F)(F)F)cc1.C=Cc1ccc(F)c(F)c1.C=Cc1ccc(F)cc1.C=Cc1cccc(C(F)(F)F)c1.C=Cc1cccc(F)c1.C=Cc1cccc(F)c1F.C=Cc1ccccc1C(F)(F)F.C=Cc1ccccc1F.CC(O)(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/2C11H13F5O4.C11H17F3O.C10H9F7O4.C10H6F6.2C10H11F5O4.C10H9F3.C9H7F7O4.C9H9F5O4.3C9H7F3.3C8H6F2.3C8H7F.C7H10O4/c2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-2-6-3-4-7(9(11,12)13)8(5-6)10(14,15)16;1-5(2)6(16)19-7(3)4-18-9(17,8(7,11)12)10(13,14)15;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-3-8-4-7(2)5-9(6-8)10(11,12)13;1-3(2)4(17)19-5-6(10,11)8(18,9(14,15)16)20-7(5,12)13;1-4(2)6(15)18-5-3-17-8(16,7(5,10)11)9(12,13)14;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-3-7(9)5-8(10)4-6;1-2-6-3-4-7(9)8(10)5-6;1-2-6-4-3-5-7(9)8(6)10;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-5(7(9)11-3)4-6(8)10-2/h2*18H,1,4-5H2,2-3H3;7-9,15H,2-6H2,1H3;19H,1H2,2-3H3;2-5H,1H2;17H,1,4H2,2-3H3;6,17H,1,3-4H2,2H3;3-6H,1H2,2H3;5,18H,1H2,2H3;5,16H,1,3H2,2H3;3*2-6H,1H2;3*2-5H,1H2;3*2-6H,1H2;1,4H2,2-3H3
InChIKeyAKWDPPNFUYQGCW-UHFFFAOYSA-N
MW4213.24 g/mol
LogP49.93
Rot. Bonds33

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate (PubChem CID 163423936) has the molecular formula C183H175F69O33 and a molecular weight of 4213.24 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate
PubChem CID163423936
Molecular FormulaC183H175F69O33
Molecular Weight4213.24 g/mol
Exact Mass4211.09
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1COC(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(CC(=O)OC)C(=O)OC.C=Cc1cc(C)cc(C(F)(F)F)c1.C=Cc1cc(F)cc(F)c1.C=Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.C=Cc1ccc(C(F)(F)F)cc1.C=Cc1ccc(F)c(F)c1.C=Cc1ccc(F)cc1.C=Cc1cccc(C(F)(F)F)c1.C=Cc1cccc(F)c1.C=Cc1cccc(F)c1F.C=Cc1ccccc1C(F)(F)F.C=Cc1ccccc1F.CC(O)(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/2C11H13F5O4.C11H17F3O.C10H9F7O4.C10H6F6.2C10H11F5O4.C10H9F3.C9H7F7O4.C9H9F5O4.3C9H7F3.3C8H6F2.3C8H7F.C7H10O4/c2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-2-6-3-4-7(9(11,12)13)8(5-6)10(14,15)16;1-5(2)6(16)19-7(3)4-18-9(17,8(7,11)12)10(13,14)15;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-3-8-4-7(2)5-9(6-8)10(11,12)13;1-3(2)4(17)19-5-6(10,11)8(18,9(14,15)16)20-7(5,12)13;1-4(2)6(15)18-5-3-17-8(16,7(5,10)11)9(12,13)14;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-3-7(9)5-8(10)4-6;1-2-6-3-4-7(9)8(10)5-6;1-2-6-4-3-5-7(9)8(6)10;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-5(7(9)11-3)4-6(8)10-2/h2*18H,1,4-5H2,2-3H3;7-9,15H,2-6H2,1H3;19H,1H2,2-3H3;2-5H,1H2;17H,1,4H2,2-3H3;6,17H,1,3-4H2,2H3;3-6H,1H2,2H3;5,18H,1H2,2H3;5,16H,1,3H2,2H3;3*2-6H,1H2;3*2-5H,1H2;3*2-6H,1H2;1,4H2,2-3H3
InChIKeyAKWDPPNFUYQGCW-UHFFFAOYSA-N
XLogP49.93
TPSA463.15 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004213.24
LogP ≤ 549.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate (CID 163423936) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F.C=C(C)C(=O)OC1COC(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(CC(=O)OC)C(=O)OC.C=Cc1cc(C)cc(C(F)(F)F)c1.C=Cc1cc(F)cc(F)c1.C=Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1.C=Cc1ccc(C(F)(F)F)cc1.C=Cc1ccc(F)c(F)c1.C=Cc1ccc(F)cc1.C=Cc1cccc(C(F)(F)F)c1.C=Cc1cccc(F)c1.C=Cc1cccc(F)c1F.C=Cc1ccccc1C(F)(F)F.C=Cc1ccccc1F.CC(O)(CC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate?
The InChIKey is AKWDPPNFUYQGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13F5O4.C11H17F3O.C10H9F7O4.C10H6F6.2C10H11F5O4.C10H9F3.C9H7F7O4.C9H9F5O4.3C9H7F3.3C8H6F2.3C8H7F.C7H10O4/c2*1-6(2)7(17)19-4-8(3)5-20-10(18,9(8,12)13)11(14,15)16;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-4(2)5(18)20-6(3)7(11,12)8(19,9(13,14)15)21-10(6,16)17;1-2-6-3-4-7(9(11,12)13)8(5-6)10(14,15)16;1-5(2)6(16)19-7(3)4-18-9(17,8(7,11)12)10(13,14)15;1-5(2)7(16)18-3-6-4-19-9(17,8(6,11)12)10(13,14)15;1-3-8-4-7(2)5-9(6-8)10(11,12)13;1-3(2)4(17)19-5-6(10,11)8(18,9(14,15)16)20-7(5,12)13;1-4(2)6(15)18-5-3-17-8(16,7(5,10)11)9(12,13)14;1-2-7-3-5-8(6-4-7)9(10,11)12;1-2-7-4-3-5-8(6-7)9(10,11)12;1-2-7-5-3-4-6-8(7)9(10,11)12;1-2-6-3-7(9)5-8(10)4-6;1-2-6-3-4-7(9)8(10)5-6;1-2-6-4-3-5-7(9)8(6)10;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-5(7(9)11-3)4-6(8)10-2/h2*18H,1,4-5H2,2-3H3;7-9,15H,2-6H2,1H3;19H,1H2,2-3H3;2-5H,1H2;17H,1,4H2,2-3H3;6,17H,1,3-4H2,2H3;3-6H,1H2,2H3;5,18H,1H2,2H3;5,16H,1,3H2,2H3;3*2-6H,1H2;3*2-5H,1H2;3*2-6H,1H2;1,4H2,2-3H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate?
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate has a molecular weight of 4213.24 g/mol, XLogP of 49.93, 33 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate);[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl]methyl 2-methylprop-2-enoate;[4,4-difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;dimethyl 2-methylidenebutanedioate;4-ethenyl-1,2-bis(trifluoromethyl)benzene;1-ethenyl-2,3-difluorobenzene;1-ethenyl-3,5-difluorobenzene;4-ethenyl-1,2-difluorobenzene;1-ethenyl-2-fluorobenzene;1-ethenyl-3-fluorobenzene;1-ethenyl-4-fluorobenzene;1-ethenyl-3-methyl-5-(trifluoromethyl)benzene;1-ethenyl-2-(trifluoromethyl)benzene;1-ethenyl-3-(trifluoromethyl)benzene;1-ethenyl-4-(trifluoromethyl)benzene;[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate;[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 163423936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).