N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

C12H21F3N2O2 — CID 87025952

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CNC(=O)COCC(F)(F)F)CN1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-10(7-17-4-2-3-5-17)6-16-11(18)8-19-9-12(13,14)15/h10H,2-9H2,1H3,(H,16,18)
InChIKeyGQXDQFJYJKCDKD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.41
Rot. Bonds7

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87025952) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87025952
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CNC(=O)COCC(F)(F)F)CN1CCCC1
InChIInChI=1S/C12H21F3N2O2/c1-10(7-17-4-2-3-5-17)6-16-11(18)8-19-9-12(13,14)15/h10H,2-9H2,1H3,(H,16,18)
InChIKeyGQXDQFJYJKCDKD-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 87025952) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CNC(=O)COCC(F)(F)F)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GQXDQFJYJKCDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-10(7-17-4-2-3-5-17)6-16-11(18)8-19-9-12(13,14)15/h10H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87025952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).