1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane

C9H3F16I — CID 10816307

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C9H3F16I/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2H,1H2
InChIKeyRMLBUQPYOQBSRD-UHFFFAOYSA-N
MW541.99 g/mol
LogP6.13
Rot. Bonds8

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane (PubChem CID 10816307) has the molecular formula C9H3F16I and a molecular weight of 541.99 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
PubChem CID10816307
Molecular FormulaC9H3F16I
Molecular Weight541.99 g/mol
Exact Mass541.90
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C9H3F16I/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2H,1H2
InChIKeyRMLBUQPYOQBSRD-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.99
LogP ≤ 56.13
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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Related Compounds

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bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane (CID 10816307) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CI.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane?
The InChIKey is RMLBUQPYOQBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F16I/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane has a molecular weight of 541.99 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane is sourced from PubChem (CID 10816307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).