3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione

C12H14FNO3 — CID 175725789

IUPAC3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione
SMILESCC1CC=C(F)C(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C12H14FNO3/c1-6-2-4-8(13)10(11(6)16)7-3-5-9(15)14-12(7)17/h4,6-7,10H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyWLKUAAZTSVLZPI-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.12
Rot. Bonds1

About 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione

3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione (PubChem CID 175725789) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione
PubChem CID175725789
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione
SMILESCC1CC=C(F)C(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C12H14FNO3/c1-6-2-4-8(13)10(11(6)16)7-3-5-9(15)14-12(7)17/h4,6-7,10H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyWLKUAAZTSVLZPI-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione (CID 175725789) is 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione is CC1CC=C(F)C(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione?
The InChIKey is WLKUAAZTSVLZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-6-2-4-8(13)10(11(6)16)7-3-5-9(15)14-12(7)17/h4,6-7,10H,2-3,5H2,1H3,(H,14,15,17).
What are the key properties of 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione?
3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione has a molecular weight of 239.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methyl-6-oxocyclohex-2-en-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 175725789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).