4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione

C10H11FO3 — CID 90929550

IUPAC4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
SMILESCC(C)(F)C(=O)CC(=O)c1ccco1
InChIInChI=1S/C10H11FO3/c1-10(2,11)9(13)6-7(12)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyJQVYIKMYPBLSMH-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.17
Rot. Bonds4

About 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione

4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione (PubChem CID 90929550) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione.

Molecular Properties

Compound Name4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
PubChem CID90929550
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
SMILESCC(C)(F)C(=O)CC(=O)c1ccco1
InChIInChI=1S/C10H11FO3/c1-10(2,11)9(13)6-7(12)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyJQVYIKMYPBLSMH-UHFFFAOYSA-N
XLogP2.17
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-(furan-2-yl)pentane-1,3-dione
CID 102033516
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione;nickel
CID 54608465
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione?
The IUPAC name of 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione (CID 90929550) is 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione.
What is the SMILES notation for 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione?
The canonical SMILES for 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione is CC(C)(F)C(=O)CC(=O)c1ccco1.
What is the InChIKey of 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione?
The InChIKey is JQVYIKMYPBLSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-10(2,11)9(13)6-7(12)8-4-3-5-14-8/h3-5H,6H2,1-2H3.
What are the key properties of 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione?
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione has a molecular weight of 198.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione is sourced from PubChem (CID 90929550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).