1-(3,3-difluoromorpholin-4-yl)ethanone

C6H9F2NO2 — CID 146492903

IUPAC1-(3,3-difluoromorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-5(10)9-2-3-11-4-6(9,7)8/h2-4H2,1H3
InChIKeyWLGZYVZXGZKZOM-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.46
Rot. Bonds

About 1-(3,3-difluoromorpholin-4-yl)ethanone

1-(3,3-difluoromorpholin-4-yl)ethanone (PubChem CID 146492903) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 1-(3,3-difluoromorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoromorpholin-4-yl)ethanone
PubChem CID146492903
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name1-(3,3-difluoromorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1(F)F
InChIInChI=1S/C6H9F2NO2/c1-5(10)9-2-3-11-4-6(9,7)8/h2-4H2,1H3
InChIKeyWLGZYVZXGZKZOM-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-Acetylmorpholine
CID 15543
4-(Trifluoroacetyl)morpholine
CID 544636
2,2,2-Trifluoroethyl morpholine-4-carboxylate
CID 16227146
2,2-Difluoro-2-iodo-1-morpholinoethanone
CID 46914073
Morpholine-4-carbonyl fluoride
CID 12592126
2-Bromo-2,2-difluoro-1-morpholinoethan-1-one
CID 85694410
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
1-Morpholino-3,3,3-trifluoro-1-propanone
CID 15366087
1-Morpholin-4-yl-ethanone hydrochloride
CID 69459604
Pentafluoropropionic acid, morpholide
CID 532139
Acetamide, N-ethyl-N-(2-ethoxyethyl)trifluoro-
CID 63719353
2-Fluoro-1-morpholinoethanone
CID 12117566

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoromorpholin-4-yl)ethanone?
The IUPAC name of 1-(3,3-difluoromorpholin-4-yl)ethanone (CID 146492903) is 1-(3,3-difluoromorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluoromorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3,3-difluoromorpholin-4-yl)ethanone is CC(=O)N1CCOCC1(F)F.
What is the InChIKey of 1-(3,3-difluoromorpholin-4-yl)ethanone?
The InChIKey is WLGZYVZXGZKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-5(10)9-2-3-11-4-6(9,7)8/h2-4H2,1H3.
What are the key properties of 1-(3,3-difluoromorpholin-4-yl)ethanone?
1-(3,3-difluoromorpholin-4-yl)ethanone has a molecular weight of 165.14 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoromorpholin-4-yl)ethanone is sourced from PubChem (CID 146492903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).