1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione

C12H12FNO3 — CID 82116829

IUPAC1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)12(16)14-5-7-17-8-6-14/h1-4H,5-8H2
InChIKeyKYABKMBNLAHGFI-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.87
Rot. Bonds2

About 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione

1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione (PubChem CID 82116829) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
PubChem CID82116829
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)12(16)14-5-7-17-8-6-14/h1-4H,5-8H2
InChIKeyKYABKMBNLAHGFI-UHFFFAOYSA-N
XLogP0.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 6510007
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
ethanol;(E)-4-(4-fluorophenyl)-2-(morpholine-4-carbonyl)-4-oxobut-2-enenitrile
CID 21203093
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione
CID 130012394
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione (CID 82116829) is 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is KYABKMBNLAHGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-10-3-1-9(2-4-10)11(15)12(16)14-5-7-17-8-6-14/h1-4H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione?
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 237.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 82116829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).