8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)

C57H84F18O12 — CID 160779860

IUPAC8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.CC(CC(O)(C(F)(F)F)C(F)(F)F)OC1CC2CCC1C2.OC(CCCCCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O2.2C13H18F6O2.3C5H8O2/c17-15(18,19)14(23,16(20,21)22)7-3-1-2-4-8-24-13-10-11-5-6-12(13)9-11;1-7(21-10-5-8-2-3-9(10)4-8)6-11(20,12(14,15)16)13(17,18)19;14-12(15,16)11(20,13(17,18)19)4-1-5-21-10-7-8-2-3-9(10)6-8;3*1-4(2)5(6)7-3/h11-13,23H,1-10H2;7-10,20H,2-6H2,1H3;8-10,20H,1-7H2;3*1H2,2-3H3
InChIKeySAKWDBFNFUBRLM-UHFFFAOYSA-N
MW1303.25 g/mol
LogP14.86
Rot. Bonds20

About 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)

8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) (PubChem CID 160779860) has the molecular formula C57H84F18O12 and a molecular weight of 1303.25 g/mol. Its IUPAC name is 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate).

Molecular Properties

Compound Name8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)
PubChem CID160779860
Molecular FormulaC57H84F18O12
Molecular Weight1303.25 g/mol
Exact Mass1302.57
IUPAC Name8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.CC(CC(O)(C(F)(F)F)C(F)(F)F)OC1CC2CCC1C2.OC(CCCCCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O2.2C13H18F6O2.3C5H8O2/c17-15(18,19)14(23,16(20,21)22)7-3-1-2-4-8-24-13-10-11-5-6-12(13)9-11;1-7(21-10-5-8-2-3-9(10)4-8)6-11(20,12(14,15)16)13(17,18)19;14-12(15,16)11(20,13(17,18)19)4-1-5-21-10-7-8-2-3-9(10)6-8;3*1-4(2)5(6)7-3/h11-13,23H,1-10H2;7-10,20H,2-6H2,1H3;8-10,20H,1-7H2;3*1H2,2-3H3
InChIKeySAKWDBFNFUBRLM-UHFFFAOYSA-N
XLogP14.86
TPSA167.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.25
LogP ≤ 514.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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'}

Analyze 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methyl 2-methylprop-2-enoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
CID 157252654
[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
methyl 2-methylprop-2-enoate;(8,8,8-trifluoro-7-hydroxy-7-methyloctyl) bicyclo[2.2.1]heptane-2-carboxylate
CID 91226462
8-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;2-methylpropane
CID 91137531
1-(2-bicyclo[2.2.1]heptanyl)-5,5,5-trifluoro-4-hydroxy-4-methylpentan-1-one;methyl 2-methylprop-2-enoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexyl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate;2-(trifluoromethylsulfonylamino)ethyl 2-methylprop-2-enoate
CID 157348875
2-hexoxybicyclo[2.2.1]heptane
CID 56615606
2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate;2-[1-(2-bicyclo[2.2.1]heptanyloxy)ethoxy]propan-2-ol
CID 143448441
16-(2-bicyclo[2.2.1]heptanyloxy)-7,7-dimethylhexadecanal
CID 91486739
bis[8,8,8-trifluoro-7-hydroxy-7-(trifluoromethyl)octyl] bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58640848
bis(3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol);ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 123252192
2-(2-methoxyethoxy)bicyclo[2.2.1]heptane
CID 12652893
14-(2-bicyclo[2.2.1]heptanyloxy)-7,7-dichlorotetradecanal
CID 91476030

Frequently Asked Questions

What is the IUPAC name of 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)?
The IUPAC name of 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) (CID 160779860) is 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate).
What is the SMILES notation for 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)?
The canonical SMILES for 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.CC(CC(O)(C(F)(F)F)C(F)(F)F)OC1CC2CCC1C2.OC(CCCCCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CCCOC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)?
The InChIKey is SAKWDBFNFUBRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O2.2C13H18F6O2.3C5H8O2/c17-15(18,19)14(23,16(20,21)22)7-3-1-2-4-8-24-13-10-11-5-6-12(13)9-11;1-7(21-10-5-8-2-3-9(10)4-8)6-11(20,12(14,15)16)13(17,18)19;14-12(15,16)11(20,13(17,18)19)4-1-5-21-10-7-8-2-3-9(10)6-8;3*1-4(2)5(6)7-3/h11-13,23H,1-10H2;7-10,20H,2-6H2,1H3;8-10,20H,1-7H2;3*1H2,2-3H3.
What are the key properties of 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate)?
8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) has a molecular weight of 1303.25 g/mol, XLogP of 14.86, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;4-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;5-(2-bicyclo[2.2.1]heptanyloxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol;tris(methyl 2-methylprop-2-enoate) is sourced from PubChem (CID 160779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).