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

C5Cl2F6 — CID 12815

IUPAC1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyABPBVCKGWWGZDP-UHFFFAOYSA-N
MW244.95 g/mol
LogP3.60
Rot. Bonds

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

1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 12815) has the molecular formula C5Cl2F6 and a molecular weight of 244.95 g/mol. Its IUPAC name is 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene
PubChem CID12815
Molecular FormulaC5Cl2F6
Molecular Weight244.95 g/mol
Exact Mass243.93
IUPAC Name1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKeyABPBVCKGWWGZDP-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.95
LogP ≤ 53.60
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-3,3,4,4,5,5-hexafluorocyclopentene?
The IUPAC name of 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene (CID 12815) is 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene is FC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)F.
What is the InChIKey of 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene?
The InChIKey is ABPBVCKGWWGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9.
What are the key properties of 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene?
1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 244.95 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 12815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).