3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one

C5Cl2F8O — CID 101267346

IUPAC3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one
SMILESO=C(C(F)(F)F)C(F)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C5Cl2F8O/c6-2(8,1(16)3(9,10)11)4(12,13)5(7,14)15
InChIKeyWWKWMYADZDJGPE-UHFFFAOYSA-N
MW298.94 g/mol
LogP3.49
Rot. Bonds3

About 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one

3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one (PubChem CID 101267346) has the molecular formula C5Cl2F8O and a molecular weight of 298.94 g/mol. Its IUPAC name is 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one.

Molecular Properties

Compound Name3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one
PubChem CID101267346
Molecular FormulaC5Cl2F8O
Molecular Weight298.94 g/mol
Exact Mass297.92
IUPAC Name3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one
SMILESO=C(C(F)(F)F)C(F)(Cl)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C5Cl2F8O/c6-2(8,1(16)3(9,10)11)4(12,13)5(7,14)15
InChIKeyWWKWMYADZDJGPE-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.94
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one?
The IUPAC name of 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one (CID 101267346) is 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one.
What is the SMILES notation for 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one?
The canonical SMILES for 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one is O=C(C(F)(F)F)C(F)(Cl)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one?
The InChIKey is WWKWMYADZDJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F8O/c6-2(8,1(16)3(9,10)11)4(12,13)5(7,14)15.
What are the key properties of 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one?
3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one has a molecular weight of 298.94 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1,1,1,3,4,4,5,5-octafluoropentan-2-one is sourced from PubChem (CID 101267346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).