2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C16H22FNO4 — CID 129485675

IUPAC2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)COc2ccccc2F)CC(C)(C)O1
InChIInChI=1S/C16H22FNO4/c1-16(2)11-18(8-12(22-16)9-20-3)15(19)10-21-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyJUWXXUKNFQQDJE-LBPRGKRZSA-N
MW311.35 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 129485675) has the molecular formula C16H22FNO4 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID129485675
Molecular FormulaC16H22FNO4
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)COc2ccccc2F)CC(C)(C)O1
InChIInChI=1S/C16H22FNO4/c1-16(2)11-18(8-12(22-16)9-20-3)15(19)10-21-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3/t12-/m0/s1
InChIKeyJUWXXUKNFQQDJE-LBPRGKRZSA-N
XLogP1.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 129484646
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 129486293
1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 128978656
2-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 129484788
2-[2-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 128978705
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128989915
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 129485675) is 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is COC[C@@H]1CN(C(=O)COc2ccccc2F)CC(C)(C)O1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is JUWXXUKNFQQDJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22FNO4/c1-16(2)11-18(8-12(22-16)9-20-3)15(19)10-21-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 311.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 129485675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).