2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol

C12H5F21O — CID 162548788

About 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol

2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol (PubChem CID 162548788) has the molecular formula C12H5F21O and a molecular weight of 564.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol
• PubChem CID: 162548788
• Molecular Formula: C12H5F21O
• Molecular Weight: 564.13 g/mol
• Exact Mass: 564.00
• IUPAC Name: 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol
• SMILES: OCC(F)(F)C(F)(F)C(F)(F)C(F)(CF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C12H5F21O/c13-1-3(14,5(17,18)7(21,22)4(15,16)2-34)6(19,20)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2
• InChIKey: OBWGQSYFSBDAOZ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.13
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol?

The IUPAC name of 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol (CID 162548788) is 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol.

What is the SMILES notation for 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol?

The canonical SMILES for 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)C(F)(CF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol?

The InChIKey is OBWGQSYFSBDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F21O/c13-1-3(14,5(17,18)7(21,22)4(15,16)2-34)6(19,20)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2.

What are the key properties of 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol?

2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol has a molecular weight of 564.13 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol is sourced from PubChem (CID 162548788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).