1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol

C13H16F6O — CID 89005637

About 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol (PubChem CID 89005637) has the molecular formula C13H16F6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
• PubChem CID: 89005637
• Molecular Formula: C13H16F6O
• Molecular Weight: 302.26 g/mol
• Exact Mass: 302.11
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
• SMILES: C=C1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C
• InChI: InChI=1S/C13H16F6O/c1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19/h7-10,20H,1,3-5H2,2H3
• InChIKey: INQWCLNDJZUVPI-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.26
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol (CID 89005637) is 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol is C=C1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?

The InChIKey is INQWCLNDJZUVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6O/c1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19/h7-10,20H,1,3-5H2,2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol has a molecular weight of 302.26 g/mol, XLogP of 4.08, 2 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-[(6-methyl-5-methylidene-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol is sourced from PubChem (CID 89005637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).