6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene

C11H6F13I — CID 162402157

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C=CCCI
InChIInChI=1S/C11H6F13I/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,4H,3,5H2
InChIKeyJKGWHYMHMSRBKI-UHFFFAOYSA-N
MW512.05 g/mol
LogP6.26
Rot. Bonds7

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene (PubChem CID 162402157) has the molecular formula C11H6F13I and a molecular weight of 512.05 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene
PubChem CID162402157
Molecular FormulaC11H6F13I
Molecular Weight512.05 g/mol
Exact Mass511.93
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C=CCCI
InChIInChI=1S/C11H6F13I/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,4H,3,5H2
InChIKeyJKGWHYMHMSRBKI-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.05
LogP ≤ 56.26
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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CID 139264104
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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
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2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanal
CID 91543394
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene;hydroiodide
CID 175246817
1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
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1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-17-iodoheptadecane
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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-1-iodoundeca-3,4-diene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene (CID 162402157) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C=CCCI.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene?
The InChIKey is JKGWHYMHMSRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F13I/c12-6(13,4-2-1-3-5-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,4H,3,5H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-1-iodoundeca-3,4-diene has a molecular weight of 512.05 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 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-1-iodoundeca-3,4-diene is sourced from PubChem (CID 162402157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).