3-fluoropentane-2,4-dione

C5H7FO2 — CID 11626652

IUPAC3-fluoropentane-2,4-dione
SMILESCC(=O)C(F)C(C)=O
InChIInChI=1S/C5H7FO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKeyLELFVORHOKZNGY-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.50
Rot. Bonds2

About 3-fluoropentane-2,4-dione

3-fluoropentane-2,4-dione (PubChem CID 11626652) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-fluoropentane-2,4-dione.

Molecular Properties

Compound Name3-fluoropentane-2,4-dione
PubChem CID11626652
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name3-fluoropentane-2,4-dione
SMILESCC(=O)C(F)C(C)=O
InChIInChI=1S/C5H7FO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKeyLELFVORHOKZNGY-UHFFFAOYSA-N
XLogP0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropentane-2,4-dione?
The IUPAC name of 3-fluoropentane-2,4-dione (CID 11626652) is 3-fluoropentane-2,4-dione.
What is the SMILES notation for 3-fluoropentane-2,4-dione?
The canonical SMILES for 3-fluoropentane-2,4-dione is CC(=O)C(F)C(C)=O.
What is the InChIKey of 3-fluoropentane-2,4-dione?
The InChIKey is LELFVORHOKZNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-3(7)5(6)4(2)8/h5H,1-2H3.
What are the key properties of 3-fluoropentane-2,4-dione?
3-fluoropentane-2,4-dione has a molecular weight of 118.11 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentane-2,4-dione is sourced from PubChem (CID 11626652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).