3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane

C11H8F14I2 — CID 10349398

IUPAC3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane
SMILESFC(F)(F)C(F)(CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
InChIInChI=1S/C11H8F14I2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4H2
InChIKeyLGNWCZXTLIGTBG-UHFFFAOYSA-N
MW659.96 g/mol
LogP7.08
Rot. Bonds9

About 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane

3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane (PubChem CID 10349398) has the molecular formula C11H8F14I2 and a molecular weight of 659.96 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane
PubChem CID10349398
Molecular FormulaC11H8F14I2
Molecular Weight659.96 g/mol
Exact Mass659.85
IUPAC Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane
SMILESFC(F)(F)C(F)(CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
InChIInChI=1S/C11H8F14I2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4H2
InChIKeyLGNWCZXTLIGTBG-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.96
LogP ≤ 57.08
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 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane (CID 10349398) is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane is FC(F)(F)C(F)(CCI)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane?
The InChIKey is LGNWCZXTLIGTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F14I2/c12-5(1-3-26,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-27/h1-4H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane?
3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane has a molecular weight of 659.96 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-1,10-diiodo-8-(trifluoromethyl)decane is sourced from PubChem (CID 10349398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).