2,2,2-trifluoro-N-pyrrol-1-ylacetamide

C6H5F3N2O — CID 130742072

IUPAC2,2,2-trifluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12)
InChIKeyJXLOEFDWVPRRNQ-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.12
Rot. Bonds1

About 2,2,2-trifluoro-N-pyrrol-1-ylacetamide

2,2,2-trifluoro-N-pyrrol-1-ylacetamide (PubChem CID 130742072) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyrrol-1-ylacetamide
PubChem CID130742072
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2,2,2-trifluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12)
InChIKeyJXLOEFDWVPRRNQ-UHFFFAOYSA-N
XLogP1.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyrrol-1-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pyrrol-1-ylacetamide (CID 130742072) is 2,2,2-trifluoro-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pyrrol-1-ylacetamide is O=C(Nn1cccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyrrol-1-ylacetamide?
The InChIKey is JXLOEFDWVPRRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5(12)10-11-3-1-2-4-11/h1-4H,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-pyrrol-1-ylacetamide?
2,2,2-trifluoro-N-pyrrol-1-ylacetamide has a molecular weight of 178.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 130742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).