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

C5Cl2F6 — CID 22104953

IUPAC3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)C(F)(Cl)C1(F)F
InChIInChI=1S/C5Cl2F6/c6-3(10)1(8)2(9)4(11,12)5(3,7)13
InChIKeyMNEPOODPTHETSK-UHFFFAOYSA-N
MW244.95 g/mol
LogP3.60
Rot. Bonds

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

3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene (PubChem CID 22104953) has the molecular formula C5Cl2F6 and a molecular weight of 244.95 g/mol. Its IUPAC name is 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene
PubChem CID22104953
Molecular FormulaC5Cl2F6
Molecular Weight244.95 g/mol
Exact Mass243.93
IUPAC Name3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene
SMILESFC1=C(F)C(F)(Cl)C(F)(Cl)C1(F)F
InChIInChI=1S/C5Cl2F6/c6-3(10)1(8)2(9)4(11,12)5(3,7)13
InChIKeyMNEPOODPTHETSK-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene?
The IUPAC name of 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene (CID 22104953) is 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene is FC1=C(F)C(F)(Cl)C(F)(Cl)C1(F)F.
What is the InChIKey of 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene?
The InChIKey is MNEPOODPTHETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F6/c6-3(10)1(8)2(9)4(11,12)5(3,7)13.
What are the key properties of 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene?
3,4-dichloro-1,2,3,4,5,5-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 3,4-dichloro-1,2,3,4,5,5-hexafluorocyclopentene is sourced from PubChem (CID 22104953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).