1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one

C10H18FNO2 — CID 130165936

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)C(C)(C)F)C[C@H](C)O1
InChIInChI=1S/C10H18FNO2/c1-7-5-12(6-8(2)14-7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeySUNXKUZMEMCCCL-OCAPTIKFSA-N
MW203.26 g/mol
LogP1.37
Rot. Bonds1

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one (PubChem CID 130165936) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one
PubChem CID130165936
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)C(C)(C)F)C[C@H](C)O1
InChIInChI=1S/C10H18FNO2/c1-7-5-12(6-8(2)14-7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3/t7-,8+
InChIKeySUNXKUZMEMCCCL-OCAPTIKFSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one with MolForge

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Related Compounds

1-(4-Morpholinyl)-1-propanone
CID 225447
2,2-Dimethyl-1-(morpholin-4-yl)propan-1-one
CID 532033
2-Methylpropionic acid, morpholide
CID 532132
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
1-(2,6-Dimethylmorpholin-4-yl)-2-methylpropan-1-one
CID 3484687
1-(2,6-Dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 5096685
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
3-ethoxy-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one
CID 97108993
1-Propanone, 2,2-difluoro-1-(4-morpholinyl)-
CID 58122781
2,2,2-trifluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 59833327
2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one (CID 130165936) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one is C[C@@H]1CN(C(=O)C(C)(C)F)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one?
The InChIKey is SUNXKUZMEMCCCL-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7-5-12(6-8(2)14-7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3/t7-,8+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one has a molecular weight of 203.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130165936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).