1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane

C13H24F3NO2 — CID 145332292

IUPAC1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane
SMILESCC.CCC1CCC(CC)N1C(=O)COC(F)(F)F
InChIInChI=1S/C11H18F3NO2.C2H6/c1-3-8-5-6-9(4-2)15(8)10(16)7-17-11(12,13)14;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyJDZIUPXQHYYWKK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane

1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane (PubChem CID 145332292) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane.

Molecular Properties

Compound Name1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane
PubChem CID145332292
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane
SMILESCC.CCC1CCC(CC)N1C(=O)COC(F)(F)F
InChIInChI=1S/C11H18F3NO2.C2H6/c1-3-8-5-6-9(4-2)15(8)10(16)7-17-11(12,13)14;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyJDZIUPXQHYYWKK-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone
CID 129269390
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 163429362
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
tert-butyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 106707669
2-(4-aminophenoxy)-1-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83218230
(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 83219079
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604019
ethyl 5-ethyl-1-[2-(methylamino)acetyl]pyrrolidine-2-carboxylate
CID 163225318

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane?
The IUPAC name of 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane (CID 145332292) is 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane.
What is the SMILES notation for 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane?
The canonical SMILES for 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane is CC.CCC1CCC(CC)N1C(=O)COC(F)(F)F.
What is the InChIKey of 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane?
The InChIKey is JDZIUPXQHYYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2.C2H6/c1-3-8-5-6-9(4-2)15(8)10(16)7-17-11(12,13)14;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane?
1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane has a molecular weight of 283.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane is sourced from PubChem (CID 145332292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).