2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C14H18F6N2O3 — CID 142792132

IUPAC2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCC(=O)N1CCCC1C(F)(F)F)N1CCCC1C(F)(F)F
InChIInChI=1S/C14H18F6N2O3/c15-13(16,17)9-3-1-5-21(9)11(23)7-25-8-12(24)22-6-2-4-10(22)14(18,19)20/h9-10H,1-8H2
InChIKeyKWLGBOCAWVSBHK-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.11
Rot. Bonds4

About 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone

2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 142792132) has the molecular formula C14H18F6N2O3 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID142792132
Molecular FormulaC14H18F6N2O3
Molecular Weight376.30 g/mol
Exact Mass376.12
IUPAC Name2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COCC(=O)N1CCCC1C(F)(F)F)N1CCCC1C(F)(F)F
InChIInChI=1S/C14H18F6N2O3/c15-13(16,17)9-3-1-5-21(9)11(23)7-25-8-12(24)22-6-2-4-10(22)14(18,19)20/h9-10H,1-8H2
InChIKeyKWLGBOCAWVSBHK-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 167892257
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 104956182
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212279
2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129447529
4-[[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]amino]benzonitrile
CID 126832113
1-[2-(chloromethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212144
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 113265479
2-(2-aminoethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217978

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 142792132) is 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is O=C(COCC(=O)N1CCCC1C(F)(F)F)N1CCCC1C(F)(F)F.
What is the InChIKey of 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is KWLGBOCAWVSBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O3/c15-13(16,17)9-3-1-5-21(9)11(23)7-25-8-12(24)22-6-2-4-10(22)14(18,19)20/h9-10H,1-8H2.
What are the key properties of 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 376.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 142792132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).