4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane

C10H8F12I2 — CID 88608643

IUPAC4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(I)I
InChIInChI=1S/C10H8F12I2/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-2-4(23)24/h4H,2-3H2,1H3
InChIKeyNSKRIDIPIQWTFU-UHFFFAOYSA-N
MW609.96 g/mol
LogP6.79
Rot. Bonds8

About 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane

4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane (PubChem CID 88608643) has the molecular formula C10H8F12I2 and a molecular weight of 609.96 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane
PubChem CID88608643
Molecular FormulaC10H8F12I2
Molecular Weight609.96 g/mol
Exact Mass609.85
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(I)I
InChIInChI=1S/C10H8F12I2/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-2-4(23)24/h4H,2-3H2,1H3
InChIKeyNSKRIDIPIQWTFU-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.96
LogP ≤ 56.79
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 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane (CID 88608643) is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(I)I.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane?
The InChIKey is NSKRIDIPIQWTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12I2/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-2-4(23)24/h4H,2-3H2,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane?
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane has a molecular weight of 609.96 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane is sourced from PubChem (CID 88608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).