1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene

C19H21F11O2 — CID 156765220

About 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene

1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene (PubChem CID 156765220) has the molecular formula C19H21F11O2 and a molecular weight of 490.35 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene.

Molecular Properties

• Compound Name: 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
• PubChem CID: 156765220
• Molecular Formula: C19H21F11O2
• Molecular Weight: 490.35 g/mol
• Exact Mass: 490.14
• IUPAC Name: 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
• SMILES: CCC(C)Oc1ccccc1C(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
• InChI: InChI=1S/C19H21F11O2/c1-5-11(2)32-13-9-7-6-8-12(13)14(3,31-4)10-15(20,21)16(22,23)17(24,25)18(26,27)19(28,29)30/h6-9,11H,5,10H2,1-4H3
• InChIKey: GJUUIYVDMBVKHZ-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.35
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene?

The IUPAC name of 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene (CID 156765220) is 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene.

What is the SMILES notation for 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene?

The canonical SMILES for 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene is CCC(C)Oc1ccccc1C(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.

What is the InChIKey of 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene?

The InChIKey is GJUUIYVDMBVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F11O2/c1-5-11(2)32-13-9-7-6-8-12(13)14(3,31-4)10-15(20,21)16(22,23)17(24,25)18(26,27)19(28,29)30/h6-9,11H,5,10H2,1-4H3.

What are the key properties of 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene?

1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene has a molecular weight of 490.35 g/mol, XLogP of 7.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene is sourced from PubChem (CID 156765220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).