1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane

C11H10F13I — CID 14026613

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane
SMILESCCC(C)(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13I/c1-3-5(2,25)4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3-4H2,1-2H3
InChIKeyRDJRPIAWDYOSQS-UHFFFAOYSA-N
MW516.08 g/mol
LogP6.72
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane (PubChem CID 14026613) has the molecular formula C11H10F13I and a molecular weight of 516.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane
PubChem CID14026613
Molecular FormulaC11H10F13I
Molecular Weight516.08 g/mol
Exact Mass515.96
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane
SMILESCCC(C)(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13I/c1-3-5(2,25)4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3-4H2,1-2H3
InChIKeyRDJRPIAWDYOSQS-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.08
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane (CID 14026613) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane is CCC(C)(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 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane?
The InChIKey is RDJRPIAWDYOSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13I/c1-3-5(2,25)4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane has a molecular weight of 516.08 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-8-methyldecane is sourced from PubChem (CID 14026613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).