2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide

C8H10F3N3O — CID 79811824

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide
SMILESCC(N)(C(=O)Nn1cccc1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)13-14-4-2-3-5-14/h2-5H,12H2,1H3,(H,13,15)
InChIKeyOLGZLHNUFNJZCF-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.84
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide (PubChem CID 79811824) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide
PubChem CID79811824
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide
SMILESCC(N)(C(=O)Nn1cccc1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)13-14-4-2-3-5-14/h2-5H,12H2,1H3,(H,13,15)
InChIKeyOLGZLHNUFNJZCF-UHFFFAOYSA-N
XLogP0.84
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide (CID 79811824) is 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide is CC(N)(C(=O)Nn1cccc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide?
The InChIKey is OLGZLHNUFNJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-7(12,8(9,10)11)6(15)13-14-4-2-3-5-14/h2-5H,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide has a molecular weight of 221.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 79811824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).