N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide

C8H12F3N3O2 — CID 151523785

IUPACN-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide
SMILESNC1CCCN1CC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6(15)4-14-3-1-2-5(14)12/h5H,1-4,12H2,(H,13,15,16)
InChIKeyPVAARBWFTHRNSH-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.43
Rot. Bonds2

About N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide

N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide (PubChem CID 151523785) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide
PubChem CID151523785
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide
SMILESNC1CCCN1CC(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6(15)4-14-3-1-2-5(14)12/h5H,1-4,12H2,(H,13,15,16)
InChIKeyPVAARBWFTHRNSH-UHFFFAOYSA-N
XLogP-0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide (CID 151523785) is N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide is NC1CCCN1CC(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide?
The InChIKey is PVAARBWFTHRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)13-6(15)4-14-3-1-2-5(14)12/h5H,1-4,12H2,(H,13,15,16).
What are the key properties of N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide?
N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide has a molecular weight of 239.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 151523785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).