1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride

C8H14ClF3N2O2 — CID 119800784

IUPAC1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCC(O)(C(F)(F)F)C1.Cl
InChIInChI=1S/C8H13F3N2O2.ClH/c1-12-4-6(14)13-3-2-7(15,5-13)8(9,10)11;/h12,15H,2-5H2,1H3;1H
InChIKeyFCJZKPROBDSGDN-UHFFFAOYSA-N
MW262.66 g/mol
LogP0.15
Rot. Bonds2

About 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 119800784) has the molecular formula C8H14ClF3N2O2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID119800784
Molecular FormulaC8H14ClF3N2O2
Molecular Weight262.66 g/mol
Exact Mass262.07
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCC(O)(C(F)(F)F)C1.Cl
InChIInChI=1S/C8H13F3N2O2.ClH/c1-12-4-6(14)13-3-2-7(15,5-13)8(9,10)11;/h12,15H,2-5H2,1H3;1H
InChIKeyFCJZKPROBDSGDN-UHFFFAOYSA-N
XLogP0.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 119800784) is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCC(O)(C(F)(F)F)C1.Cl.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is FCJZKPROBDSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2.ClH/c1-12-4-6(14)13-3-2-7(15,5-13)8(9,10)11;/h12,15H,2-5H2,1H3;1H.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 262.66 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 119800784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).