6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol

C11H10F13IO — CID 10875133

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
SMILESOCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
InChIKeyFPLJNGUIASXYLD-UHFFFAOYSA-N
MW532.08 g/mol
LogP5.69
Rot. Bonds9

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol (PubChem CID 10875133) has the molecular formula C11H10F13IO and a molecular weight of 532.08 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
PubChem CID10875133
Molecular FormulaC11H10F13IO
Molecular Weight532.08 g/mol
Exact Mass531.96
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
SMILESOCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
InChIKeyFPLJNGUIASXYLD-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.08
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol (CID 10875133) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol is OCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol?
The InChIKey is FPLJNGUIASXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol has a molecular weight of 532.08 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol is sourced from PubChem (CID 10875133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).