2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

C13H15F3N2O3 — CID 122517030

IUPAC2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCCC1c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14N2O.C2HF3O2/c12-11(14)13-8-4-7-10(13)9-5-2-1-3-6-9;3-2(4,5)1(6)7/h1-3,5-6,10H,4,7-8H2,(H2,12,14);(H,6,7)
InChIKeyIAKGOEOAFJXFND-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.54
Rot. Bonds1

About 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 122517030) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID122517030
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCCC1c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14N2O.C2HF3O2/c12-11(14)13-8-4-7-10(13)9-5-2-1-3-6-9;3-2(4,5)1(6)7/h1-3,5-6,10H,4,7-8H2,(H2,12,14);(H,6,7)
InChIKeyIAKGOEOAFJXFND-UHFFFAOYSA-N
XLogP2.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 122517030) is 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1CCCC1c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IAKGOEOAFJXFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2HF3O2/c12-11(14)13-8-4-7-10(13)9-5-2-1-3-6-9;3-2(4,5)1(6)7/h1-3,5-6,10H,4,7-8H2,(H2,12,14);(H,6,7).
What are the key properties of 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 304.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122517030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).