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

C7H11F2NO2 — CID 90213238

IUPAC2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H11F2NO2/c1-5-4-10(2-3-12-5)7(11)6(8)9/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyIFZRHCIVVFESQT-RXMQYKEDSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds1

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

2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone (PubChem CID 90213238) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
PubChem CID90213238
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H11F2NO2/c1-5-4-10(2-3-12-5)7(11)6(8)9/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKeyIFZRHCIVVFESQT-RXMQYKEDSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoroacetyl)morpholine
CID 544636
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
1-Morpholino-3,3,3-trifluoro-1-propanone
CID 15366087
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-(2,5-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53527409
1-(2,6-Dimethylmorpholin-4-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 72017177
Pentafluoropropionic acid, morpholide
CID 532139
2,2-Difluoro-1-morpholinoethanone
CID 13896439
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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone (CID 90213238) is 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)C(F)F)CCO1.
What is the InChIKey of 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is IFZRHCIVVFESQT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5-4-10(2-3-12-5)7(11)6(8)9/h5-6H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone?
2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 179.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 90213238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).