1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

C15H20FNO2 — CID 19817443

IUPAC1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C15H20FNO2/c1-3-15(2,17-8-10-19-11-9-17)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyMJTKHPJUPSYWNI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (PubChem CID 19817443) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
PubChem CID19817443
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C15H20FNO2/c1-3-15(2,17-8-10-19-11-9-17)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyMJTKHPJUPSYWNI-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (CID 19817443) is 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The InChIKey is MJTKHPJUPSYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(2,17-8-10-19-11-9-17)14(18)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 19817443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).