1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one

C15H20FNO3 — CID 102933552

IUPAC1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
SMILESCC1CN(CC(=O)Cc2ccccc2F)CC(CO)O1
InChIInChI=1S/C15H20FNO3/c1-11-7-17(9-14(10-18)20-11)8-13(19)6-12-4-2-3-5-15(12)16/h2-5,11,14,18H,6-10H2,1H3
InChIKeyQQFBQCSVXCPTID-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.02
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one

1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one (PubChem CID 102933552) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
PubChem CID102933552
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one
SMILESCC1CN(CC(=O)Cc2ccccc2F)CC(CO)O1
InChIInChI=1S/C15H20FNO3/c1-11-7-17(9-14(10-18)20-11)8-13(19)6-12-4-2-3-5-15(12)16/h2-5,11,14,18H,6-10H2,1H3
InChIKeyQQFBQCSVXCPTID-UHFFFAOYSA-N
XLogP1.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935980
1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methyl-N-phenylacetamide
CID 102935696
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 106836569
(2-bromo-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932978

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one (CID 102933552) is 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one is CC1CN(CC(=O)Cc2ccccc2F)CC(CO)O1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one?
The InChIKey is QQFBQCSVXCPTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11-7-17(9-14(10-18)20-11)8-13(19)6-12-4-2-3-5-15(12)16/h2-5,11,14,18H,6-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one?
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one has a molecular weight of 281.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-2-one is sourced from PubChem (CID 102933552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).