2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide

C7H5F3N2O2 — CID 141381266

IUPAC2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide
SMILESO=Cn1ccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)6(14)11-5-1-2-12(3-5)4-13/h1-4H,(H,11,14)
InChIKeyIDVDHYULDLKQCM-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.03
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide

2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide (PubChem CID 141381266) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide
PubChem CID141381266
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide
SMILESO=Cn1ccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)6(14)11-5-1-2-12(3-5)4-13/h1-4H,(H,11,14)
InChIKeyIDVDHYULDLKQCM-UHFFFAOYSA-N
XLogP1.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide (CID 141381266) is 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide is O=Cn1ccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide?
The InChIKey is IDVDHYULDLKQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)6(14)11-5-1-2-12(3-5)4-13/h1-4H,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide?
2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide has a molecular weight of 206.12 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-formylpyrrol-3-yl)acetamide is sourced from PubChem (CID 141381266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).