4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene

C4Cl2F6 — CID 582842

IUPAC4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C4Cl2F6/c5-4(6,12)3(10,11)1(7)2(8)9
InChIKeyOZAWCRZCYBVMBW-UHFFFAOYSA-N
MW232.94 g/mol
LogP3.80
Rot. Bonds2

About 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene

4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene (PubChem CID 582842) has the molecular formula C4Cl2F6 and a molecular weight of 232.94 g/mol. Its IUPAC name is 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene.

Molecular Properties

Compound Name4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene
PubChem CID582842
Molecular FormulaC4Cl2F6
Molecular Weight232.94 g/mol
Exact Mass231.93
IUPAC Name4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C4Cl2F6/c5-4(6,12)3(10,11)1(7)2(8)9
InChIKeyOZAWCRZCYBVMBW-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.94
LogP ≤ 53.80
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 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene?
The IUPAC name of 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene (CID 582842) is 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene.
What is the SMILES notation for 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene?
The canonical SMILES for 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene is FC(F)=C(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene?
The InChIKey is OZAWCRZCYBVMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F6/c5-4(6,12)3(10,11)1(7)2(8)9.
What are the key properties of 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene?
4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene has a molecular weight of 232.94 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1,1,2,3,3,4-hexafluorobut-1-ene is sourced from PubChem (CID 582842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).