2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone

C10H15F3N2O2 — CID 64593046

IUPAC2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(N2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)15-2-1-8(7-15)14-3-5-17-6-4-14/h8H,1-7H2
InChIKeyJHIFJNSJMVJVNA-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.48
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 64593046) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID64593046
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCC(N2CCOCC2)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)15-2-1-8(7-15)14-3-5-17-6-4-14/h8H,1-7H2
InChIKeyJHIFJNSJMVJVNA-UHFFFAOYSA-N
XLogP0.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103929897
2,2,2-trifluoro-1-[(3R,4S)-4-fluoro-3-methylpiperidin-1-yl]ethanone
CID 134827923
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone (CID 64593046) is 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone is O=C(N1CCC(N2CCOCC2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is JHIFJNSJMVJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)15-2-1-8(7-15)14-3-5-17-6-4-14/h8H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 252.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 64593046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).