1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene

C5HCl2F5 — CID 22011460

IUPAC1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene
SMILESFC1C(Cl)=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5HCl2F5/c6-1-2(7)4(9,10)5(11,12)3(1)8/h3H
InChIKeyNZOAAXYPNDHZOC-UHFFFAOYSA-N
MW226.96 g/mol
LogP3.30
Rot. Bonds

About 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene

1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene (PubChem CID 22011460) has the molecular formula C5HCl2F5 and a molecular weight of 226.96 g/mol. Its IUPAC name is 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene.

Molecular Properties

Compound Name1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene
PubChem CID22011460
Molecular FormulaC5HCl2F5
Molecular Weight226.96 g/mol
Exact Mass225.94
IUPAC Name1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene
SMILESFC1C(Cl)=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5HCl2F5/c6-1-2(7)4(9,10)5(11,12)3(1)8/h3H
InChIKeyNZOAAXYPNDHZOC-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.96
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene?
The IUPAC name of 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene (CID 22011460) is 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene.
What is the SMILES notation for 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene?
The canonical SMILES for 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene is FC1C(Cl)=C(Cl)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene?
The InChIKey is NZOAAXYPNDHZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F5/c6-1-2(7)4(9,10)5(11,12)3(1)8/h3H.
What are the key properties of 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene?
1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene has a molecular weight of 226.96 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,3,4,4,5-pentafluorocyclopentene is sourced from PubChem (CID 22011460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).