[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

C112H120F48O24 — CID 159326811

IUPAC[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=C(C)C(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=C(C)C(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=CC(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=CC(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C15H18F6O3.2C14H14F6O3.2C14H16F6O3.2C13H12F6O3/c1-7(2)12(22)24-11-5-8-3-9(11)4-10(8)6-13(23,14(16,17)18)15(19,20)21;1-7(2)12(22)24-11-5-8-3-9(10(11)4-8)6-13(23,14(16,17)18)15(19,20)21;1-5(2)11(21)22-8-4-6-3-7(8)9-10(6)23-12(9,13(15,16)17)14(18,19)20;1-5(2)11(21)22-8-4-6-3-7(8)10-9(6)12(23-10,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(10)4-9(7)6-12(22,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(9(10)4-7)6-12(22,13(15,16)17)14(18,19)20;1-2-8(20)21-7-4-5-3-6(7)9-10(5)22-11(9,12(14,15)16)13(17,18)19;1-2-8(20)21-7-4-5-3-6(7)10-9(5)11(22-10,12(14,15)16)13(17,18)19/h2*8-11,23H,1,3-6H2,2H3;2*6-10H,1,3-4H2,2H3;2*2,7-10,22H,1,3-6H2;2*2,5-7,9-10H,1,3-4H2
InChIKeyLELSOKZRVLVVAS-UHFFFAOYSA-N
MW2762.07 g/mol
LogP27.07
Rot. Bonds24

About [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (PubChem CID 159326811) has the molecular formula C112H120F48O24 and a molecular weight of 2762.07 g/mol. Its IUPAC name is [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.

Molecular Properties

Compound Name[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
PubChem CID159326811
Molecular FormulaC112H120F48O24
Molecular Weight2762.07 g/mol
Exact Mass2760.74
IUPAC Name[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=C(C)C(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=C(C)C(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=CC(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=CC(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C15H18F6O3.2C14H14F6O3.2C14H16F6O3.2C13H12F6O3/c1-7(2)12(22)24-11-5-8-3-9(11)4-10(8)6-13(23,14(16,17)18)15(19,20)21;1-7(2)12(22)24-11-5-8-3-9(10(11)4-8)6-13(23,14(16,17)18)15(19,20)21;1-5(2)11(21)22-8-4-6-3-7(8)9-10(6)23-12(9,13(15,16)17)14(18,19)20;1-5(2)11(21)22-8-4-6-3-7(8)10-9(6)12(23-10,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(10)4-9(7)6-12(22,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(9(10)4-7)6-12(22,13(15,16)17)14(18,19)20;1-2-8(20)21-7-4-5-3-6(7)9-10(5)22-11(9,12(14,15)16)13(17,18)19;1-2-8(20)21-7-4-5-3-6(7)10-9(5)11(22-10,12(14,15)16)13(17,18)19/h2*8-11,23H,1,3-6H2,2H3;2*6-10H,1,3-4H2,2H3;2*2,7-10,22H,1,3-6H2;2*2,5-7,9-10H,1,3-4H2
InChIKeyLELSOKZRVLVVAS-UHFFFAOYSA-N
XLogP27.07
TPSA328.24 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002762.07
LogP ≤ 527.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate with MolForge

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Related Compounds

[9-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate
CID 89424032
[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 59616257
[5-[3,3,3-trifluoro-2-iodooxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 170046372
[5-(2-ethyl-2-hydroxybutyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163675074
[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 11176707
[6-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl]oxy-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 89359573
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 89000437
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-(trifluoromethyl)prop-2-enoate
CID 158628130
[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate
CID 161064225
(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] prop-2-enoate
CID 58999850

Frequently Asked Questions

What is the IUPAC name of [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The IUPAC name of [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (CID 159326811) is [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.
What is the SMILES notation for [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The canonical SMILES for [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is C=C(C)C(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=C(C)C(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=C(C)C(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.C=CC(=O)OC1CC2CC1C1C2OC1(C(F)(F)F)C(F)(F)F.C=CC(=O)OC1CC2CC1C1OC(C(F)(F)F)(C(F)(F)F)C21.C=CC(=O)OC1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The InChIKey is LELSOKZRVLVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18F6O3.2C14H14F6O3.2C14H16F6O3.2C13H12F6O3/c1-7(2)12(22)24-11-5-8-3-9(11)4-10(8)6-13(23,14(16,17)18)15(19,20)21;1-7(2)12(22)24-11-5-8-3-9(10(11)4-8)6-13(23,14(16,17)18)15(19,20)21;1-5(2)11(21)22-8-4-6-3-7(8)9-10(6)23-12(9,13(15,16)17)14(18,19)20;1-5(2)11(21)22-8-4-6-3-7(8)10-9(6)12(23-10,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(10)4-9(7)6-12(22,13(15,16)17)14(18,19)20;1-2-11(21)23-10-5-7-3-8(9(10)4-7)6-12(22,13(15,16)17)14(18,19)20;1-2-8(20)21-7-4-5-3-6(7)9-10(5)22-11(9,12(14,15)16)13(17,18)19;1-2-8(20)21-7-4-5-3-6(7)10-9(5)11(22-10,12(14,15)16)13(17,18)19/h2*8-11,23H,1,3-6H2,2H3;2*6-10H,1,3-4H2,2H3;2*2,7-10,22H,1,3-6H2;2*2,5-7,9-10H,1,3-4H2.
What are the key properties of [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate has a molecular weight of 2762.07 g/mol, XLogP of 27.07, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] 2-methylprop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-7-yl] prop-2-enoate;[4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonan-8-yl] prop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate;[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is sourced from PubChem (CID 159326811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).