1,3-difluoro-3-methylpentane-2,4-dione

C6H8F2O2 — CID 11094793

IUPAC1,3-difluoro-3-methylpentane-2,4-dione
SMILESCC(=O)C(C)(F)C(=O)CF
InChIInChI=1S/C6H8F2O2/c1-4(9)6(2,8)5(10)3-7/h3H2,1-2H3
InChIKeySVSLXTVHZQIBDP-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.84
Rot. Bonds3

About 1,3-difluoro-3-methylpentane-2,4-dione

1,3-difluoro-3-methylpentane-2,4-dione (PubChem CID 11094793) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 1,3-difluoro-3-methylpentane-2,4-dione.

Molecular Properties

Compound Name1,3-difluoro-3-methylpentane-2,4-dione
PubChem CID11094793
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name1,3-difluoro-3-methylpentane-2,4-dione
SMILESCC(=O)C(C)(F)C(=O)CF
InChIInChI=1S/C6H8F2O2/c1-4(9)6(2,8)5(10)3-7/h3H2,1-2H3
InChIKeySVSLXTVHZQIBDP-UHFFFAOYSA-N
XLogP0.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.84
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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Related Compounds

3-Methyl-2,4-pentanedione
CID 69949
3-Ethylpentane-2,4-dione
CID 73761
Methine triacetate
CID 69950
Hexafluorodiacetyl-acetone
CID 88419676
1,1,1,5,5,5-Hexafluoro-3-methylpentane-2,4-dione
CID 89275482
2,4-Pentanedione, 3-methyl-, ion(1-), sodium
CID 10953569
4,4-Difluoro-3-methylpentan-2-one
CID 13053140
4-Fluoro-4-methylpentane-2,3-dione
CID 91691541
3-Fluoro-3-methylpentane-2,4-dione
CID 11007943
1,3-Difluoro-2,4-pentanedione
CID 12958007
1-Fluoro-3-methylpentan-2-one
CID 13700086
Sec-butyl trifluoromethyl ketone
CID 14900063

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-3-methylpentane-2,4-dione?
The IUPAC name of 1,3-difluoro-3-methylpentane-2,4-dione (CID 11094793) is 1,3-difluoro-3-methylpentane-2,4-dione.
What is the SMILES notation for 1,3-difluoro-3-methylpentane-2,4-dione?
The canonical SMILES for 1,3-difluoro-3-methylpentane-2,4-dione is CC(=O)C(C)(F)C(=O)CF.
What is the InChIKey of 1,3-difluoro-3-methylpentane-2,4-dione?
The InChIKey is SVSLXTVHZQIBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-4(9)6(2,8)5(10)3-7/h3H2,1-2H3.
What are the key properties of 1,3-difluoro-3-methylpentane-2,4-dione?
1,3-difluoro-3-methylpentane-2,4-dione has a molecular weight of 150.12 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-3-methylpentane-2,4-dione is sourced from PubChem (CID 11094793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).