4,4,5,5,5-pentafluoropentan-2-one

C5H5F5O — CID 11126794

IUPAC4,4,5,5,5-pentafluoropentan-2-one
SMILESCC(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-3(11)2-4(6,7)5(8,9)10/h2H2,1H3
InChIKeyCIOUKPWMVUTXHK-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.16
Rot. Bonds2

About 4,4,5,5,5-pentafluoropentan-2-one

4,4,5,5,5-pentafluoropentan-2-one (PubChem CID 11126794) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropentan-2-one.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropentan-2-one
PubChem CID11126794
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name4,4,5,5,5-pentafluoropentan-2-one
SMILESCC(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-3(11)2-4(6,7)5(8,9)10/h2H2,1H3
InChIKeyCIOUKPWMVUTXHK-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4,5,5,5-pentafluoropentan-2-one?
The IUPAC name of 4,4,5,5,5-pentafluoropentan-2-one (CID 11126794) is 4,4,5,5,5-pentafluoropentan-2-one.
What is the SMILES notation for 4,4,5,5,5-pentafluoropentan-2-one?
The canonical SMILES for 4,4,5,5,5-pentafluoropentan-2-one is CC(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropentan-2-one?
The InChIKey is CIOUKPWMVUTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-3(11)2-4(6,7)5(8,9)10/h2H2,1H3.
What are the key properties of 4,4,5,5,5-pentafluoropentan-2-one?
4,4,5,5,5-pentafluoropentan-2-one has a molecular weight of 176.08 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropentan-2-one is sourced from PubChem (CID 11126794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).