2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

C12H23FN2O2 — CID 86782235

IUPAC2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(NCCCF)C(=O)N1CCOCC1
InChIInChI=1S/C12H23FN2O2/c1-10(2)11(14-5-3-4-13)12(16)15-6-8-17-9-7-15/h10-11,14H,3-9H2,1-2H3
InChIKeyAXMSTNUKQUFZTE-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.82
Rot. Bonds6

About 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one

2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 86782235) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID86782235
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(NCCCF)C(=O)N1CCOCC1
InChIInChI=1S/C12H23FN2O2/c1-10(2)11(14-5-3-4-13)12(16)15-6-8-17-9-7-15/h10-11,14H,3-9H2,1-2H3
InChIKeyAXMSTNUKQUFZTE-UHFFFAOYSA-N
XLogP0.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one (CID 86782235) is 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(NCCCF)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is AXMSTNUKQUFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-10(2)11(14-5-3-4-13)12(16)15-6-8-17-9-7-15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one?
2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 246.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 86782235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).