2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

C8H13F3N2O3 — CID 66995238

IUPAC2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESNCC(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-5-6(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h1-5,7H2;(H,6,7)
InChIKeyHRKXTEFWTLUPAM-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.20
Rot. Bonds1

About 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 66995238) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID66995238
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESNCC(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-5-6(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h1-5,7H2;(H,6,7)
InChIKeyHRKXTEFWTLUPAM-UHFFFAOYSA-N
XLogP0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 66995238) is 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is NCC(=O)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is HRKXTEFWTLUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c7-5-6(9)8-3-1-2-4-8;3-2(4,5)1(6)7/h1-5,7H2;(H,6,7).
What are the key properties of 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66995238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).