2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one

C9H16FNO2 — CID 130165031

IUPAC2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)F)CCO1
InChIInChI=1S/C9H16FNO2/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyWPBOFEQMIYVAHM-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.98
Rot. Bonds1

About 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one

2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 130165031) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID130165031
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)F)CCO1
InChIInChI=1S/C9H16FNO2/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyWPBOFEQMIYVAHM-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one (CID 130165031) is 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)(C)F)CCO1.
What is the InChIKey of 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is WPBOFEQMIYVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7-6-11(4-5-13-7)8(12)9(2,3)10/h7H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one?
2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 130165031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).