7,7,8,8,8-pentafluorooctane-3,5-dione

C8H9F5O2 — CID 130395599

IUPAC7,7,8,8,8-pentafluorooctane-3,5-dione
SMILESCCC(=O)CC(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c1-2-5(14)3-6(15)4-7(9,10)8(11,12)13/h2-4H2,1H3
InChIKeyLFYHMKNYJRNKEV-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.51
Rot. Bonds5

About 7,7,8,8,8-pentafluorooctane-3,5-dione

7,7,8,8,8-pentafluorooctane-3,5-dione (PubChem CID 130395599) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 7,7,8,8,8-pentafluorooctane-3,5-dione.

Molecular Properties

Compound Name7,7,8,8,8-pentafluorooctane-3,5-dione
PubChem CID130395599
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name7,7,8,8,8-pentafluorooctane-3,5-dione
SMILESCCC(=O)CC(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5O2/c1-2-5(14)3-6(15)4-7(9,10)8(11,12)13/h2-4H2,1H3
InChIKeyLFYHMKNYJRNKEV-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 7,7,8,8,8-pentafluorooctane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,8-pentafluorooctane-3,5-dione?
The IUPAC name of 7,7,8,8,8-pentafluorooctane-3,5-dione (CID 130395599) is 7,7,8,8,8-pentafluorooctane-3,5-dione.
What is the SMILES notation for 7,7,8,8,8-pentafluorooctane-3,5-dione?
The canonical SMILES for 7,7,8,8,8-pentafluorooctane-3,5-dione is CCC(=O)CC(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,8-pentafluorooctane-3,5-dione?
The InChIKey is LFYHMKNYJRNKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c1-2-5(14)3-6(15)4-7(9,10)8(11,12)13/h2-4H2,1H3.
What are the key properties of 7,7,8,8,8-pentafluorooctane-3,5-dione?
7,7,8,8,8-pentafluorooctane-3,5-dione has a molecular weight of 232.15 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,8-pentafluorooctane-3,5-dione is sourced from PubChem (CID 130395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).