2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone

C12H8F3NO — CID 57024897

IUPAC2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone
SMILESO=C(C(F)(F)F)C1(c2ccccc2)C=CC=N1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10(17)11(7-4-8-16-11)9-5-2-1-3-6-9/h1-8H
InChIKeyVGVZBZVMOXHDNR-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.65
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone

2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone (PubChem CID 57024897) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone
PubChem CID57024897
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone
SMILESO=C(C(F)(F)F)C1(c2ccccc2)C=CC=N1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)10(17)11(7-4-8-16-11)9-5-2-1-3-6-9/h1-8H
InChIKeyVGVZBZVMOXHDNR-UHFFFAOYSA-N
XLogP2.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone (CID 57024897) is 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone is O=C(C(F)(F)F)C1(c2ccccc2)C=CC=N1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone?
The InChIKey is VGVZBZVMOXHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)10(17)11(7-4-8-16-11)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone?
2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone has a molecular weight of 239.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-phenylpyrrol-2-yl)ethanone is sourced from PubChem (CID 57024897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).