3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene

C10F12I2 — CID 10579496

IUPAC3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene
SMILESFC1(F)C(I)=C(C2=C(I)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F12I2/c11-5(12)1(3(23)7(15,16)9(5,19)20)2-4(24)8(17,18)10(21,22)6(2,13)14
InChIKeyYKYRVYUDTGZIMR-UHFFFAOYSA-N
MW601.89 g/mol
LogP6.20
Rot. Bonds1

About 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene

3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene (PubChem CID 10579496) has the molecular formula C10F12I2 and a molecular weight of 601.89 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene
PubChem CID10579496
Molecular FormulaC10F12I2
Molecular Weight601.89 g/mol
Exact Mass601.79
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene
SMILESFC1(F)C(I)=C(C2=C(I)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F12I2/c11-5(12)1(3(23)7(15,16)9(5,19)20)2-4(24)8(17,18)10(21,22)6(2,13)14
InChIKeyYKYRVYUDTGZIMR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.89
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoro-1-methyl-2-(2-methyl-1-cyclopentenyl) cyclopentene
CID 12661372
Perfluorobi(cyclopentene)
CID 11395047
3,3,4,4-Tetrafluoro-1-iodo-2-(3,3,4,4-tetrafluoro-2-iodocyclobuten-1-yl)cyclobutene
CID 10649104
3,3,4,4-Tetrafluoro-1,2-bis(3,3,4,4-tetrafluoro-2-iodocyclobuten-1-yl)cyclobutene
CID 21731918

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene (CID 10579496) is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene is FC1(F)C(I)=C(C2=C(I)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene?
The InChIKey is YKYRVYUDTGZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F12I2/c11-5(12)1(3(23)7(15,16)9(5,19)20)2-4(24)8(17,18)10(21,22)6(2,13)14.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene?
3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene has a molecular weight of 601.89 g/mol, XLogP of 6.20, 1 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-hexafluoro-1-(3,3,4,4,5,5-hexafluoro-2-iodocyclopenten-1-yl)-2-iodocyclopentene is sourced from PubChem (CID 10579496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).