2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C8H13F2NO3 — CID 103514025

IUPAC2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C8H13F2NO3/c1-5-2-11(8(13)7(9)10)3-6(4-12)14-5/h5-7,12H,2-4H2,1H3
InChIKeyGFVUNWIUXCHQDW-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.14
Rot. Bonds2

About 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 103514025) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID103514025
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C8H13F2NO3/c1-5-2-11(8(13)7(9)10)3-6(4-12)14-5/h5-7,12H,2-4H2,1H3
InChIKeyGFVUNWIUXCHQDW-UHFFFAOYSA-N
XLogP-0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
5-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpentan-1-one
CID 102932727
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 102932507
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 103514025) is 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(C(=O)C(F)F)CC(CO)O1.
What is the InChIKey of 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is GFVUNWIUXCHQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5-2-11(8(13)7(9)10)3-6(4-12)14-5/h5-7,12H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 103514025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).