5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione

C15H8F3NO2 — CID 61356798

IUPAC5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H8F3NO2/c16-9-3-1-8(2-4-9)7-19-13-11(14(20)15(19)21)5-10(17)6-12(13)18/h1-6H,7H2
InChIKeyBDAYJQAFXPHYTD-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.83
Rot. Bonds2

About 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione

5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 61356798) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
PubChem CID61356798
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H8F3NO2/c16-9-3-1-8(2-4-9)7-19-13-11(14(20)15(19)21)5-10(17)6-12(13)18/h1-6H,7H2
InChIKeyBDAYJQAFXPHYTD-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isatin
CID 7054
Acetylisatin
CID 11321
1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
1-Benzylisatin
CID 264734
1-((4-bromophenyl)methyl)-2,3-dihydro-1H-indole-2,3-dione
CID 3008304
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 43402
1-Benzyl-5-bromoisatin
CID 54357

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione (CID 61356798) is 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(F)cc2)c2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is BDAYJQAFXPHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-9-3-1-8(2-4-9)7-19-13-11(14(20)15(19)21)5-10(17)6-12(13)18/h1-6H,7H2.
What are the key properties of 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 291.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 61356798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).