4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one

C12H14FNO3 — CID 115067563

IUPAC4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
SMILESCC1(CO)CN(c2ccccc2F)C(=O)CO1
InChIInChI=1S/C12H14FNO3/c1-12(8-15)7-14(11(16)6-17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3
InChIKeyZPFLMLXTRVEMHL-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one

4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one (PubChem CID 115067563) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
PubChem CID115067563
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
SMILESCC1(CO)CN(c2ccccc2F)C(=O)CO1
InChIInChI=1S/C12H14FNO3/c1-12(8-15)7-14(11(16)6-17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3
InChIKeyZPFLMLXTRVEMHL-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068184
6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115067682
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
2-[2-methyl-4-(3-methylphenyl)-5-oxomorpholin-2-yl]acetic acid
CID 115068225
6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
CID 115067596
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064794
6-(aminomethyl)-6-methyl-4-(3-methylphenyl)morpholin-3-one
CID 115068016
6-(3-aminopropyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115068137
4-(4-fluorophenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
CID 115068187
2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
CID 115068259

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one?
The IUPAC name of 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one (CID 115067563) is 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one.
What is the SMILES notation for 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one?
The canonical SMILES for 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one is CC1(CO)CN(c2ccccc2F)C(=O)CO1.
What is the InChIKey of 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one?
The InChIKey is ZPFLMLXTRVEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-12(8-15)7-14(11(16)6-17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one?
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one has a molecular weight of 239.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 115067563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).