2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane

C10H19F3N2O2 — CID 178127734

IUPAC2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane
SMILESCC.C[C@H]1C(OC(F)(F)F)CCN1C(=O)CN
InChIInChI=1S/C8H13F3N2O2.C2H6/c1-5-6(15-8(9,10)11)2-3-13(5)7(14)4-12;1-2/h5-6H,2-4,12H2,1H3;1-2H3/t5-,6?;/m0./s1
InChIKeyUTAVAZGYGCTNDA-GNVLWMSISA-N
MW256.27 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane

2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane (PubChem CID 178127734) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane
PubChem CID178127734
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane
SMILESCC.C[C@H]1C(OC(F)(F)F)CCN1C(=O)CN
InChIInChI=1S/C8H13F3N2O2.C2H6/c1-5-6(15-8(9,10)11)2-3-13(5)7(14)4-12;1-2/h5-6H,2-4,12H2,1H3;1-2H3/t5-,6?;/m0./s1
InChIKeyUTAVAZGYGCTNDA-GNVLWMSISA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane 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 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane?
The IUPAC name of 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane (CID 178127734) is 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane.
What is the SMILES notation for 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane?
The canonical SMILES for 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane is CC.C[C@H]1C(OC(F)(F)F)CCN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane?
The InChIKey is UTAVAZGYGCTNDA-GNVLWMSISA-N. The full InChI is InChI=1S/C8H13F3N2O2.C2H6/c1-5-6(15-8(9,10)11)2-3-13(5)7(14)4-12;1-2/h5-6H,2-4,12H2,1H3;1-2H3/t5-,6?;/m0./s1.
What are the key properties of 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane?
2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane has a molecular weight of 256.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]ethanone;ethane is sourced from PubChem (CID 178127734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).