1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione

C14H16FNO3 — CID 2095593

IUPAC1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)5-6-14(18)16-7-9-19-10-8-16/h1-4H,5-10H2
InChIKeyMTDUPJYVIMJLIE-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione

1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione (PubChem CID 2095593) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione
PubChem CID2095593
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)5-6-14(18)16-7-9-19-10-8-16/h1-4H,5-10H2
InChIKeyMTDUPJYVIMJLIE-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione (CID 2095593) is 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione is O=C(CCC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione?
The InChIKey is MTDUPJYVIMJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)5-6-14(18)16-7-9-19-10-8-16/h1-4H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione?
1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione has a molecular weight of 265.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-morpholin-4-ylbutane-1,4-dione is sourced from PubChem (CID 2095593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).