2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C18H28F6O — CID 20756283

About 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 20756283) has the molecular formula C18H28F6O and a molecular weight of 374.41 g/mol. Its IUPAC name is 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
• PubChem CID: 20756283
• Molecular Formula: C18H28F6O
• Molecular Weight: 374.41 g/mol
• Exact Mass: 374.20
• IUPAC Name: 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
• SMILES: CC1C2CC(C1C)C(C)(CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C2
• InChI: InChI=1S/C18H28F6O/c1-10-11(2)13-7-12(10)8-15(13,6)9-16(17(19,20)21,18(22,23)24)25-14(3,4)5/h10-13H,7-9H2,1-6H3
• InChIKey: KVLOXLIVKWXYHF-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.41
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?

The IUPAC name of 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 20756283) is 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

What is the SMILES notation for 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?

The canonical SMILES for 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is CC1C2CC(C1C)C(C)(CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C2.

What is the InChIKey of 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?

The InChIKey is KVLOXLIVKWXYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O/c1-10-11(2)13-7-12(10)8-15(13,6)9-16(17(19,20)21,18(22,23)24)25-14(3,4)5/h10-13H,7-9H2,1-6H3.

What are the key properties of 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?

2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 374.41 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,6-trimethyl-2-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 20756283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).