1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)

C5ClF6IZn — CID 14224326

IUPAC1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)
SMILESFC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Zn+]I
InChIInChI=1S/C5ClF6.HI.Zn/c6-2-1-3(7,8)5(11,12)4(2,9)10;;/h;1H;/q-1;;+2/p-1
InChIKeyKZVLOMJETMIBMU-UHFFFAOYSA-M
MW401.79 g/mol
LogP3.71
Rot. Bonds

About 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)

1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+) (PubChem CID 14224326) has the molecular formula C5ClF6IZn and a molecular weight of 401.79 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+).

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)
PubChem CID14224326
Molecular FormulaC5ClF6IZn
Molecular Weight401.79 g/mol
Exact Mass399.79
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)
SMILESFC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Zn+]I
InChIInChI=1S/C5ClF6.HI.Zn/c6-2-1-3(7,8)5(11,12)4(2,9)10;;/h;1H;/q-1;;+2/p-1
InChIKeyKZVLOMJETMIBMU-UHFFFAOYSA-M
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.79
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+) (CID 14224326) is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+).
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+) is FC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Zn+]I.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)?
The InChIKey is KZVLOMJETMIBMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5ClF6.HI.Zn/c6-2-1-3(7,8)5(11,12)4(2,9)10;;/h;1H;/q-1;;+2/p-1.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+)?
1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+) has a molecular weight of 401.79 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;iodozinc(1+) is sourced from PubChem (CID 14224326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).