4-(3-fluorobutyl)morpholine-3,5-dione

C8H12FNO3 — CID 130679316

IUPAC4-(3-fluorobutyl)morpholine-3,5-dione
SMILESCC(F)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H12FNO3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5H2,1H3
InChIKeySCZRYUHXUWGHRI-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.12
Rot. Bonds3

About 4-(3-fluorobutyl)morpholine-3,5-dione

4-(3-fluorobutyl)morpholine-3,5-dione (PubChem CID 130679316) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 4-(3-fluorobutyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3-fluorobutyl)morpholine-3,5-dione
PubChem CID130679316
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name4-(3-fluorobutyl)morpholine-3,5-dione
SMILESCC(F)CCN1C(=O)COCC1=O
InChIInChI=1S/C8H12FNO3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5H2,1H3
InChIKeySCZRYUHXUWGHRI-UHFFFAOYSA-N
XLogP0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.12
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

4-Methylmorpholin-3-one
CID 11007867
Methoxyacetic acid, morpholide
CID 532078
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
N-ethylmorpholinone
CID 12766108
4-Butylmorpholine-3,5-dione
CID 13156567
3,5-Morpholinedione,4-ethyl-
CID 15506865
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893126
Acetic acid-2-(4,4-difluoro-piperidin-1-yl)-2-oxo-ethyl Ester
CID 57749455
2-Fluoro-2-methyl-1-morpholin-4-ylpropan-1-one
CID 123223571

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)morpholine-3,5-dione?
The IUPAC name of 4-(3-fluorobutyl)morpholine-3,5-dione (CID 130679316) is 4-(3-fluorobutyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3-fluorobutyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3-fluorobutyl)morpholine-3,5-dione is CC(F)CCN1C(=O)COCC1=O.
What is the InChIKey of 4-(3-fluorobutyl)morpholine-3,5-dione?
The InChIKey is SCZRYUHXUWGHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-6(9)2-3-10-7(11)4-13-5-8(10)12/h6H,2-5H2,1H3.
What are the key properties of 4-(3-fluorobutyl)morpholine-3,5-dione?
4-(3-fluorobutyl)morpholine-3,5-dione has a molecular weight of 189.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutyl)morpholine-3,5-dione is sourced from PubChem (CID 130679316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).