1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone

C14H12F3NO — CID 3127246

IUPAC1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESCCc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)11-7-8-12(18-11)13(19)14(15,16)17/h3-8,18H,2H2,1H3
InChIKeyWDERUWJPPGBPSP-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.99
Rot. Bonds3

About 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone

1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone (PubChem CID 3127246) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
PubChem CID3127246
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESCCc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)11-7-8-12(18-11)13(19)14(15,16)17/h3-8,18H,2H2,1H3
InChIKeyWDERUWJPPGBPSP-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone 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 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone (CID 3127246) is 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone is CCc1ccc(-c2ccc(C(=O)C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is WDERUWJPPGBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-9-3-5-10(6-4-9)11-7-8-12(18-11)13(19)14(15,16)17/h3-8,18H,2H2,1H3.
What are the key properties of 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 267.25 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 3127246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).