2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

C8H12F3NO2 — CID 64590549

IUPAC2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-14-5-6-2-3-12(4-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyXLMTZYFPALUCTB-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.04
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 64590549) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID64590549
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-14-5-6-2-3-12(4-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyXLMTZYFPALUCTB-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 64590549) is 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is COCC1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is XLMTZYFPALUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-14-5-6-2-3-12(4-6)7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 211.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 64590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).