2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H20F16O3 — CID 21053319

About 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21053319) has the molecular formula C19H20F16O3 and a molecular weight of 600.33 g/mol. Its IUPAC name is 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

• Compound Name: 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• PubChem CID: 21053319
• Molecular Formula: C19H20F16O3
• Molecular Weight: 600.33 g/mol
• Exact Mass: 600.12
• IUPAC Name: 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• SMILES: CC1C(C)C2C(CC(O)(C(F)(F)F)C(F)(F)F)C(CC(O)(C(F)(F)F)C(F)(F)F)C1C2C(O)(F)C(F)(F)F
• InChI: InChI=1S/C19H20F16O3/c1-5-6(2)10-8(4-13(37,17(27,28)29)18(30,31)32)7(3-12(36,15(21,22)23)16(24,25)26)9(5)11(10)14(20,38)19(33,34)35/h5-11,36-38H,3-4H2,1-2H3
• InChIKey: GOOCRKUUBPQCAC-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.33
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The IUPAC name of 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21053319) is 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

What is the SMILES notation for 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The canonical SMILES for 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1C(C)C2C(CC(O)(C(F)(F)F)C(F)(F)F)C(CC(O)(C(F)(F)F)C(F)(F)F)C1C2C(O)(F)C(F)(F)F.

What is the InChIKey of 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The InChIKey is GOOCRKUUBPQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F16O3/c1-5-6(2)10-8(4-13(37,17(27,28)29)18(30,31)32)7(3-12(36,15(21,22)23)16(24,25)26)9(5)11(10)14(20,38)19(33,34)35/h5-11,36-38H,3-4H2,1-2H3.

What are the key properties of 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 600.33 g/mol, XLogP of 6.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5,6-dimethyl-7-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21053319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).