2-[[5,6-dimethyl-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

C17H20F12O2 — CID 21063617

About 2-[[5,6-dimethyl-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-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 21063617) has the molecular formula C17H20F12O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 2-[[5,6-dimethyl-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-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: 21063617
• Molecular Formula: C17H20F12O2
• Molecular Weight: 484.32 g/mol
• Exact Mass: 484.13
• IUPAC Name: 2-[[5,6-dimethyl-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)C2CC1C(CC(O)(C(F)(F)F)C(F)(F)F)C2CC(O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C17H20F12O2/c1-6-7(2)9-3-8(6)10(4-12(30,14(18,19)20)15(21,22)23)11(9)5-13(31,16(24,25)26)17(27,28)29/h6-11,30-31H,3-5H2,1-2H3
• InChIKey: USHQZDQLRUVIEB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.32
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-dimethyl-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-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 21063617) is 2-[[5,6-dimethyl-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-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-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)C2CC1C(CC(O)(C(F)(F)F)C(F)(F)F)C2CC(O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[[5,6-dimethyl-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 USHQZDQLRUVIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F12O2/c1-6-7(2)9-3-8(6)10(4-12(30,14(18,19)20)15(21,22)23)11(9)5-13(31,16(24,25)26)17(27,28)29/h6-11,30-31H,3-5H2,1-2H3.

What are the key properties of 2-[[5,6-dimethyl-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-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 484.32 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5,6-dimethyl-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 21063617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).