1-benzyl-4-fluoroindole-2,3-dione

C15H10FNO2 — CID 73294017

IUPAC1-benzyl-4-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2cccc(F)c21
InChIInChI=1S/C15H10FNO2/c16-11-7-4-8-12-13(11)14(18)15(19)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyKKCWLSWYZUSSAE-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.56
Rot. Bonds2

About 1-benzyl-4-fluoroindole-2,3-dione

1-benzyl-4-fluoroindole-2,3-dione (PubChem CID 73294017) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-benzyl-4-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-fluoroindole-2,3-dione
PubChem CID73294017
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name1-benzyl-4-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2cccc(F)c21
InChIInChI=1S/C15H10FNO2/c16-11-7-4-8-12-13(11)14(18)15(19)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyKKCWLSWYZUSSAE-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.56
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

4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
CID 103038332
4-fluoro-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indole-2,3-dione
CID 69217138
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
CID 61358318
1-[(3,4,5-trifluorophenyl)methyl]indole-2,3-dione
CID 129218578
1-benzyl-4-bromo-3-diazoindol-2-one
CID 151837643
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225
1-benzyl-6-(trifluoromethyl)indole-2,3-dione
CID 141454622
5-amino-1-benzylindole-2,3-dione
CID 53306407
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione
CID 171797054

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluoroindole-2,3-dione?
The IUPAC name of 1-benzyl-4-fluoroindole-2,3-dione (CID 73294017) is 1-benzyl-4-fluoroindole-2,3-dione.
What is the SMILES notation for 1-benzyl-4-fluoroindole-2,3-dione?
The canonical SMILES for 1-benzyl-4-fluoroindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2)c2cccc(F)c21.
What is the InChIKey of 1-benzyl-4-fluoroindole-2,3-dione?
The InChIKey is KKCWLSWYZUSSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-7-4-8-12-13(11)14(18)15(19)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-4-fluoroindole-2,3-dione?
1-benzyl-4-fluoroindole-2,3-dione has a molecular weight of 255.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-fluoroindole-2,3-dione is sourced from PubChem (CID 73294017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).