6-fluoro-5,5-dimethylhexane-2,4-dione

C8H13FO2 — CID 151716617

IUPAC6-fluoro-5,5-dimethylhexane-2,4-dione
SMILESCC(=O)CC(=O)C(C)(C)CF
InChIInChI=1S/C8H13FO2/c1-6(10)4-7(11)8(2,3)5-9/h4-5H2,1-3H3
InChIKeyRHRSWOJPBYPLGV-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.53
Rot. Bonds4

About 6-fluoro-5,5-dimethylhexane-2,4-dione

6-fluoro-5,5-dimethylhexane-2,4-dione (PubChem CID 151716617) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 6-fluoro-5,5-dimethylhexane-2,4-dione.

Molecular Properties

Compound Name6-fluoro-5,5-dimethylhexane-2,4-dione
PubChem CID151716617
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name6-fluoro-5,5-dimethylhexane-2,4-dione
SMILESCC(=O)CC(=O)C(C)(C)CF
InChIInChI=1S/C8H13FO2/c1-6(10)4-7(11)8(2,3)5-9/h4-5H2,1-3H3
InChIKeyRHRSWOJPBYPLGV-UHFFFAOYSA-N
XLogP1.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.53
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

5,5-dimethyl-6-(methylamino)hexane-2,4-dione
CID 59862122
4-fluoro-3,3-dimethylbutan-2-one
CID 13019441
5,5-dimethylhexane-2,4-dione;propan-2-one;zirconium
CID 174907853
CID 158271114
CID 158271114
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
methane;1,1,1-trifluoropentane-2,4-dione
CID 160600044
2,2-dimethyl-3,5-dioxohexanoic acid
CID 57142628
lithium;hydride;1,1,1-trifluoropentane-2,4-dione
CID 173192040
1-fluoro-2,2,4,4-tetramethylpentan-3-one
CID 13238886
5,5-dimethyl-6-tritiohexane-2,4-dione
CID 59094694
Lithium pentane-2,4-dione
CID 86735745

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,5-dimethylhexane-2,4-dione?
The IUPAC name of 6-fluoro-5,5-dimethylhexane-2,4-dione (CID 151716617) is 6-fluoro-5,5-dimethylhexane-2,4-dione.
What is the SMILES notation for 6-fluoro-5,5-dimethylhexane-2,4-dione?
The canonical SMILES for 6-fluoro-5,5-dimethylhexane-2,4-dione is CC(=O)CC(=O)C(C)(C)CF.
What is the InChIKey of 6-fluoro-5,5-dimethylhexane-2,4-dione?
The InChIKey is RHRSWOJPBYPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(10)4-7(11)8(2,3)5-9/h4-5H2,1-3H3.
What are the key properties of 6-fluoro-5,5-dimethylhexane-2,4-dione?
6-fluoro-5,5-dimethylhexane-2,4-dione has a molecular weight of 160.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,5-dimethylhexane-2,4-dione is sourced from PubChem (CID 151716617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).