1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one

C14H15ClFNO2 — CID 166417422

IUPAC1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(c2cccc(Cl)c2)OCC1C
InChIInChI=1S/C14H15ClFNO2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-4-3-5-12(15)6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXARGMNRMWMOYBD-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one

1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one (PubChem CID 166417422) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
PubChem CID166417422
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CC(c2cccc(Cl)c2)OCC1C
InChIInChI=1S/C14H15ClFNO2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-4-3-5-12(15)6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyXARGMNRMWMOYBD-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one (CID 166417422) is 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CC(c2cccc(Cl)c2)OCC1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one?
The InChIKey is XARGMNRMWMOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-9-8-19-13(7-17(9)14(18)10(2)16)11-4-3-5-12(15)6-11/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one?
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one has a molecular weight of 283.73 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 166417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).