1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone

C15H11F3N2O2 — CID 112534085

IUPAC1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone
SMILESNc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)Cc1ccco1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)13-7-9-6-10(19)3-4-12(9)20(13)14(21)8-11-2-1-5-22-11/h1-7H,8,19H2
InChIKeySJHYLNSIHPHPRV-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.72
Rot. Bonds2

About 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone

1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone (PubChem CID 112534085) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone
PubChem CID112534085
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone
SMILESNc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)Cc1ccco1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)13-7-9-6-10(19)3-4-12(9)20(13)14(21)8-11-2-1-5-22-11/h1-7H,8,19H2
InChIKeySJHYLNSIHPHPRV-UHFFFAOYSA-N
XLogP3.72
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-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

Related Compounds

[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-methylphenyl)methanone
CID 112534114
1-(5-amino-1,3-dihydroisoindol-2-yl)-3-(furan-2-yl)propan-1-one
CID 66000688
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 112536660
2-(2,2,2-trifluoroethyl)furan
CID 67627445
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 167784706
3-bromo-4-(furan-2-ylmethoxymethyl)aniline
CID 60792139
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
1-(2,2-difluoropropyl)indol-5-amine
CID 165472066

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone (CID 112534085) is 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone is Nc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)Cc1ccco1.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone?
The InChIKey is SJHYLNSIHPHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)13-7-9-6-10(19)3-4-12(9)20(13)14(21)8-11-2-1-5-22-11/h1-7H,8,19H2.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone?
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone has a molecular weight of 308.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 112534085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).