1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane

C14H21F7O — CID 91230238

About 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane (PubChem CID 91230238) has the molecular formula C14H21F7O and a molecular weight of 338.31 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
• PubChem CID: 91230238
• Molecular Formula: C14H21F7O
• Molecular Weight: 338.31 g/mol
• Exact Mass: 338.15
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
• SMILES: CC(C)C.OC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2
• InChI: InChI=1S/C10H11F7O.C4H10/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17;1-4(2)3/h5-6,18H,1-4H2;4H,1-3H3
• InChIKey: ZTJZERLRAVGVQD-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.31
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane (CID 91230238) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane is CC(C)C.OC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane?

The InChIKey is ZTJZERLRAVGVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O.C4H10/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17;1-4(2)3/h5-6,18H,1-4H2;4H,1-3H3.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane?

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane has a molecular weight of 338.31 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane is sourced from PubChem (CID 91230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).