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

C5ClCuF6 — CID 14224327

IUPAC1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)
SMILESFC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Cu+]
InChIInChI=1S/C5ClF6.Cu/c6-2-1-3(7,8)5(11,12)4(2,9)10;/q-1;+1
InChIKeyATIBWJGUMXRKKO-UHFFFAOYSA-N
MW273.04 g/mol
LogP2.83
Rot. Bonds

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

1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+) (PubChem CID 14224327) has the molecular formula C5ClCuF6 and a molecular weight of 273.04 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+).

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)
PubChem CID14224327
Molecular FormulaC5ClCuF6
Molecular Weight273.04 g/mol
Exact Mass271.89
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)
SMILESFC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Cu+]
InChIInChI=1S/C5ClF6.Cu/c6-2-1-3(7,8)5(11,12)4(2,9)10;/q-1;+1
InChIKeyATIBWJGUMXRKKO-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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;copper(1+)?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+) (CID 14224327) is 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+).
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+) is FC1(F)[C-]=C(Cl)C(F)(F)C1(F)F.[Cu+].
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)?
The InChIKey is ATIBWJGUMXRKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF6.Cu/c6-2-1-3(7,8)5(11,12)4(2,9)10;/q-1;+1.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+)?
1-chloro-3,3,4,4,5,5-hexafluorocyclopentene;copper(1+) has a molecular weight of 273.04 g/mol, XLogP of 2.83, 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;copper(1+) is sourced from PubChem (CID 14224327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).