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

C10H18ClF3N2O2 — CID 119539118

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)C1.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13;/h8,14H,2-7H2,1H3;1H
InChIKeySYBCYJYXIFMZLJ-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.05
Rot. Bonds5

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

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (PubChem CID 119539118) has the molecular formula C10H18ClF3N2O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
PubChem CID119539118
Molecular FormulaC10H18ClF3N2O2
Molecular Weight290.71 g/mol
Exact Mass290.10
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)COCC(F)(F)F)C1.Cl
InChIInChI=1S/C10H17F3N2O2.ClH/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13;/h8,14H,2-7H2,1H3;1H
InChIKeySYBCYJYXIFMZLJ-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119543398
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103805704
1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124613081
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538325
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103806956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride (CID 119539118) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride is CNCC1CCN(C(=O)COCC(F)(F)F)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
The InChIKey is SYBCYJYXIFMZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2.ClH/c1-14-4-8-2-3-15(5-8)9(16)6-17-7-10(11,12)13;/h8,14H,2-7H2,1H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride has a molecular weight of 290.71 g/mol, XLogP of 1.05, 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;hydrochloride is sourced from PubChem (CID 119539118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).