1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C10H17F3N2O2 — CID 103806613

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyJBQCQEYYFBGDAC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.63
Rot. Bonds5

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103806613) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103806613
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyJBQCQEYYFBGDAC-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103806613) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CNCC1CCN(C(=O)COCC(F)(F)F)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is JBQCQEYYFBGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103806613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).