5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione

C16H11F2NO2 — CID 106893563

IUPAC5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ccccc1F)C(=O)C2=O
InChIInChI=1S/C16H11F2NO2/c1-9-6-11(17)7-12-14(9)19(16(21)15(12)20)8-10-4-2-3-5-13(10)18/h2-7H,8H2,1H3
InChIKeyASIIQQHVFRYSMV-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.00
Rot. Bonds2

About 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione

5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione (PubChem CID 106893563) has the molecular formula C16H11F2NO2 and a molecular weight of 287.26 g/mol. Its IUPAC name is 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
PubChem CID106893563
Molecular FormulaC16H11F2NO2
Molecular Weight287.26 g/mol
Exact Mass287.08
IUPAC Name5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cc(F)cc2c1N(Cc1ccccc1F)C(=O)C2=O
InChIInChI=1S/C16H11F2NO2/c1-9-6-11(17)7-12-14(9)19(16(21)15(12)20)8-10-4-2-3-5-13(10)18/h2-7H,8H2,1H3
InChIKeyASIIQQHVFRYSMV-UHFFFAOYSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.00
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

5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
1-[(3-chloro-4-pyridinyl)methyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893894
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 60711816
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
5-fluoro-7-methyl-1-prop-2-ynylindole-2,3-dione
CID 106893797
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
1-[(E)-but-2-enyl]-5-fluoro-7-methylindole-2,3-dione
CID 106893650
5-fluoro-7-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)indole-2,3-dione
CID 106893878
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The IUPAC name of 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione (CID 106893563) is 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione is Cc1cc(F)cc2c1N(Cc1ccccc1F)C(=O)C2=O.
What is the InChIKey of 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione?
The InChIKey is ASIIQQHVFRYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-9-6-11(17)7-12-14(9)19(16(21)15(12)20)8-10-4-2-3-5-13(10)18/h2-7H,8H2,1H3.
What are the key properties of 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione?
5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione has a molecular weight of 287.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 106893563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).