3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione

C8H10FNO3 — CID 166883630

IUPAC3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCN1C(=O)CC(F)C1=O
InChIInChI=1S/C8H10FNO3/c1-5(11)2-3-10-7(12)4-6(9)8(10)13/h6H,2-4H2,1H3
InChIKeyMNRVPGKBQOGNCE-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.06
Rot. Bonds3

About 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione

3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione (PubChem CID 166883630) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione
PubChem CID166883630
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCN1C(=O)CC(F)C1=O
InChIInChI=1S/C8H10FNO3/c1-5(11)2-3-10-7(12)4-6(9)8(10)13/h6H,2-4H2,1H3
InChIKeyMNRVPGKBQOGNCE-UHFFFAOYSA-N
XLogP0.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylsuccinimide
CID 16842
1-Butylpyrrolidine-2,5-dione
CID 137956
1-Butanoylpyrrolidin-2-one
CID 242155
N-Propylsuccinimide
CID 18983
1-(3-Oxobutyl)pyrrolidine-2,5-dione
CID 13396265
1-(2-Oxopyrrolidin-1-yl)butane-1,3-dione
CID 302059
[4-(2,5-Dioxopyrrolidin-1-yl)-2-oxobutyl]-diethyl-methylazanium iodide
CID 13408913
1-(1-Fluoro-2-methylpropyl)pyrrolidine-2,5-dione
CID 122380876
1-(1-Fluoro-2,2-dimethylpropyl)pyrrolidine-2,5-dione
CID 122380879
1-(1,3-Dioxobutyl)pyrrolidine
CID 100722
1-Butyl-3-fluoropyrrolidin-2-one
CID 45088613
1-(2-Fluoropropyl)pyrrolidine-2,5-dione
CID 68150515

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione (CID 166883630) is 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione is CC(=O)CCN1C(=O)CC(F)C1=O.
What is the InChIKey of 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The InChIKey is MNRVPGKBQOGNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-5(11)2-3-10-7(12)4-6(9)8(10)13/h6H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione?
3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione has a molecular weight of 187.17 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-oxobutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 166883630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).