5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione

C15H8ClF2NO2 — CID 79342057

IUPAC5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2cc(F)c(Cl)cc21
InChIInChI=1S/C15H8ClF2NO2/c16-10-5-9-13(6-12(10)18)19(15(21)14(9)20)7-8-3-1-2-4-11(8)17/h1-6H,7H2
InChIKeyDYLRWDXULAFORZ-UHFFFAOYSA-N
MW307.68 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione

5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 79342057) has the molecular formula C15H8ClF2NO2 and a molecular weight of 307.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
PubChem CID79342057
Molecular FormulaC15H8ClF2NO2
Molecular Weight307.68 g/mol
Exact Mass307.02
IUPAC Name5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2cc(F)c(Cl)cc21
InChIInChI=1S/C15H8ClF2NO2/c16-10-5-9-13(6-12(10)18)19(15(21)14(9)20)7-8-3-1-2-4-11(8)17/h1-6H,7H2
InChIKeyDYLRWDXULAFORZ-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione (CID 79342057) is 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccccc2F)c2cc(F)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is DYLRWDXULAFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO2/c16-10-5-9-13(6-12(10)18)19(15(21)14(9)20)7-8-3-1-2-4-11(8)17/h1-6H,7H2.
What are the key properties of 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 307.68 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 79342057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).