1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C10H17F3N2O2 — CID 103840458

IUPAC1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1CC(CN)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7-2-8(3-14)4-15(7)9(16)5-17-6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyZIXGHIZUWCMLNH-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.76
Rot. Bonds4

About 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103840458) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103840458
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1CC(CN)CN1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-7-2-8(3-14)4-15(7)9(16)5-17-6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyZIXGHIZUWCMLNH-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103840458) is 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CC1CC(CN)CN1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is ZIXGHIZUWCMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7-2-8(3-14)4-15(7)9(16)5-17-6-10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103840458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).