1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

C10H18ClF3N2O2 — CID 120804072

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)COCC(F)(F)F)C1.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-9(5-14)2-3-15(6-9)8(16)4-17-7-10(11,12)13;/h2-7,14H2,1H3;1H
InChIKeyDHGWQQJYZIJNEX-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.18
Rot. Bonds4

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (PubChem CID 120804072) has the molecular formula C10H18ClF3N2O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
PubChem CID120804072
Molecular FormulaC10H18ClF3N2O2
Molecular Weight290.71 g/mol
Exact Mass290.10
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)COCC(F)(F)F)C1.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-9(5-14)2-3-15(6-9)8(16)4-17-7-10(11,12)13;/h2-7,14H2,1H3;1H
InChIKeyDHGWQQJYZIJNEX-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (CID 120804072) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is CC1(CN)CCN(C(=O)COCC(F)(F)F)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The InChIKey is DHGWQQJYZIJNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2.ClH/c1-9(5-14)2-3-15(6-9)8(16)4-17-7-10(11,12)13;/h2-7,14H2,1H3;1H.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride has a molecular weight of 290.71 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is sourced from PubChem (CID 120804072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).