2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C9H17ClF3N3O — CID 119905819

IUPAC2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NCC(F)(F)F)C1.Cl
InChIInChI=1S/C9H16F3N3O.ClH/c1-13-7-2-3-15(4-7)5-8(16)14-6-9(10,11)12;/h7,13H,2-6H2,1H3,(H,14,16);1H
InChIKeyOTYYHVLIWRRYIC-UHFFFAOYSA-N
MW275.70 g/mol
LogP0.38
Rot. Bonds4

About 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 119905819) has the molecular formula C9H17ClF3N3O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID119905819
Molecular FormulaC9H17ClF3N3O
Molecular Weight275.70 g/mol
Exact Mass275.10
IUPAC Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCNC1CCN(CC(=O)NCC(F)(F)F)C1.Cl
InChIInChI=1S/C9H16F3N3O.ClH/c1-13-7-2-3-15(4-7)5-8(16)14-6-9(10,11)12;/h7,13H,2-6H2,1H3,(H,14,16);1H
InChIKeyOTYYHVLIWRRYIC-UHFFFAOYSA-N
XLogP0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114876490
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
2-[[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-3-yl]methylamino]acetic acid
CID 106814097

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 119905819) is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is CNC1CCN(CC(=O)NCC(F)(F)F)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is OTYYHVLIWRRYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O.ClH/c1-13-7-2-3-15(4-7)5-8(16)14-6-9(10,11)12;/h7,13H,2-6H2,1H3,(H,14,16);1H.
What are the key properties of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 119905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).