2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate

C130H171F37O33 — CID 160552952

About 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate

2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate (PubChem CID 160552952) has the molecular formula C130H171F37O33 and a molecular weight of 2964.69 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate
• PubChem CID: 160552952
• Molecular Formula: C130H171F37O33
• Molecular Weight: 2964.69 g/mol
• Exact Mass: 2963.11
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=CC(=O)OC.C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.OC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2.OC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H16F12O4.C14H20O5.C13H18O5.C13H18O4.C13H18O3.2C11H14F6O.C10H11F7O.C10H12F6O.3C5H8O2.C4H6O2/c1-6(2)10(29)32-9-4-7(11(30,13(17,18)19)14(20,21)22)3-8(5-9)12(31,15(23,24)25)16(26,27)28;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-2-9(14)18-13-6-10(15)3-11(16,7-13)5-12(17,4-10)8-13;1-2-10(14)17-13-5-9-3-11(15,7-13)6-12(16,4-9)8-13;1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13;2*12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;3*1-4(2)5(6)7-3;1-3-4(5)6-2/h7-9,30-31H,1,3-5H2,2H3;16-18H,1,3-8H2,2H3;2,15-17H,1,3-8H2;2,9,15-16H,1,3-8H2;2,9-10,15H,1,3-8H2;2*6-8,18H,1-5H2;5-6,18H,1-4H2;5-7,17H,1-4H2;3*1H2,2-3H3;3H,1H2,2H3
• InChIKey: QYHSPRVHJNBONT-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 540.15 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2964.69
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate (CID 160552952) is 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-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)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=CC(=O)OC.C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.OC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2.OC(C1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate?

The InChIKey is QYHSPRVHJNBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F12O4.C14H20O5.C13H18O5.C13H18O4.C13H18O3.2C11H14F6O.C10H11F7O.C10H12F6O.3C5H8O2.C4H6O2/c1-6(2)10(29)32-9-4-7(11(30,13(17,18)19)14(20,21)22)3-8(5-9)12(31,15(23,24)25)16(26,27)28;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-2-9(14)18-13-6-10(15)3-11(16,7-13)5-12(17,4-10)8-13;1-2-10(14)17-13-5-9-3-11(15,7-13)6-12(16,4-9)8-13;1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13;2*12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;3*1-4(2)5(6)7-3;1-3-4(5)6-2/h7-9,30-31H,1,3-5H2,2H3;16-18H,1,3-8H2,2H3;2,15-17H,1,3-8H2;2,9,15-16H,1,3-8H2;2,9-10,15H,1,3-8H2;2*6-8,18H,1-5H2;5-6,18H,1-4H2;5-7,17H,1-4H2;3*1H2,2-3H3;3H,1H2,2H3.

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate?

2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate has a molecular weight of 2964.69 g/mol, XLogP of 24.30, 22 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;bis(2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol);[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) prop-2-enoate;1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;(3-hydroxy-1-adamantyl) prop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl prop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) prop-2-enoate is sourced from PubChem (CID 160552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).