4-(2-fluoro-4-methylphenyl)morpholin-3-one

C11H12FNO2 — CID 58845389

IUPAC4-(2-fluoro-4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-8-2-3-10(9(12)6-8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyQBSOZSOFGGBLOZ-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.50
Rot. Bonds1

About 4-(2-fluoro-4-methylphenyl)morpholin-3-one

4-(2-fluoro-4-methylphenyl)morpholin-3-one (PubChem CID 58845389) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)morpholin-3-one
PubChem CID58845389
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-(2-fluoro-4-methylphenyl)morpholin-3-one
SMILESCc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C11H12FNO2/c1-8-2-3-10(9(12)6-8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyQBSOZSOFGGBLOZ-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)morpholin-3-one?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)morpholin-3-one (CID 58845389) is 4-(2-fluoro-4-methylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)morpholin-3-one?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)morpholin-3-one is Cc1ccc(N2CCOCC2=O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)morpholin-3-one?
The InChIKey is QBSOZSOFGGBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8-2-3-10(9(12)6-8)13-4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)morpholin-3-one?
4-(2-fluoro-4-methylphenyl)morpholin-3-one has a molecular weight of 209.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)morpholin-3-one is sourced from PubChem (CID 58845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).