3-fluoro-3-methylpentane-2,4-dione

C6H9FO2 — CID 11007943

IUPAC3-fluoro-3-methylpentane-2,4-dione
SMILESCC(=O)C(C)(F)C(C)=O
InChIInChI=1S/C6H9FO2/c1-4(8)6(3,7)5(2)9/h1-3H3
InChIKeyQALGMGZXYYCIQT-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.89
Rot. Bonds2

About 3-fluoro-3-methylpentane-2,4-dione

3-fluoro-3-methylpentane-2,4-dione (PubChem CID 11007943) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 3-fluoro-3-methylpentane-2,4-dione.

Molecular Properties

Compound Name3-fluoro-3-methylpentane-2,4-dione
PubChem CID11007943
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name3-fluoro-3-methylpentane-2,4-dione
SMILESCC(=O)C(C)(F)C(C)=O
InChIInChI=1S/C6H9FO2/c1-4(8)6(3,7)5(2)9/h1-3H3
InChIKeyQALGMGZXYYCIQT-UHFFFAOYSA-N
XLogP0.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.89
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-fluoro-3-methylpentane-2,4-dione?
The IUPAC name of 3-fluoro-3-methylpentane-2,4-dione (CID 11007943) is 3-fluoro-3-methylpentane-2,4-dione.
What is the SMILES notation for 3-fluoro-3-methylpentane-2,4-dione?
The canonical SMILES for 3-fluoro-3-methylpentane-2,4-dione is CC(=O)C(C)(F)C(C)=O.
What is the InChIKey of 3-fluoro-3-methylpentane-2,4-dione?
The InChIKey is QALGMGZXYYCIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4(8)6(3,7)5(2)9/h1-3H3.
What are the key properties of 3-fluoro-3-methylpentane-2,4-dione?
3-fluoro-3-methylpentane-2,4-dione has a molecular weight of 132.13 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylpentane-2,4-dione is sourced from PubChem (CID 11007943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).