5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene

C5Cl2F8 — CID 139602827

IUPAC5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5Cl2F8/c6-5(7,15)4(13,14)3(11,12)1(8)2(9)10
InChIKeyKGRARCNBJFQNDY-UHFFFAOYSA-N
MW282.95 g/mol
LogP4.44
Rot. Bonds3

About 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene

5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene (PubChem CID 139602827) has the molecular formula C5Cl2F8 and a molecular weight of 282.95 g/mol. Its IUPAC name is 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene.

Molecular Properties

Compound Name5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
PubChem CID139602827
Molecular FormulaC5Cl2F8
Molecular Weight282.95 g/mol
Exact Mass281.92
IUPAC Name5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5Cl2F8/c6-5(7,15)4(13,14)3(11,12)1(8)2(9)10
InChIKeyKGRARCNBJFQNDY-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene?
The IUPAC name of 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene (CID 139602827) is 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene.
What is the SMILES notation for 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene?
The canonical SMILES for 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene?
The InChIKey is KGRARCNBJFQNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F8/c6-5(7,15)4(13,14)3(11,12)1(8)2(9)10.
What are the key properties of 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene?
5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene has a molecular weight of 282.95 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene is sourced from PubChem (CID 139602827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).