1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one

C14H3Cl4FN2O — CID 15404245

IUPAC1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccc(F)cc3n21
InChIInChI=1S/C14H3Cl4FN2O/c15-9-7-8(10(16)12(18)11(9)17)14(22)21-6-3-4(19)1-2-5(6)20-13(7)21/h1-3H
InChIKeyRYFAUIATBZWPSQ-UHFFFAOYSA-N
MW376.00 g/mol
LogP5.46
Rot. Bonds

About 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one

1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one (PubChem CID 15404245) has the molecular formula C14H3Cl4FN2O and a molecular weight of 376.00 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one
PubChem CID15404245
Molecular FormulaC14H3Cl4FN2O
Molecular Weight376.00 g/mol
Exact Mass373.90
IUPAC Name1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccc(F)cc3n21
InChIInChI=1S/C14H3Cl4FN2O/c15-9-7-8(10(16)12(18)11(9)17)14(22)21-6-3-4(19)1-2-5(6)20-13(7)21/h1-3H
InChIKeyRYFAUIATBZWPSQ-UHFFFAOYSA-N
XLogP5.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.00
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one (CID 15404245) is 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one is O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccc(F)cc3n21.
What is the InChIKey of 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is RYFAUIATBZWPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3Cl4FN2O/c15-9-7-8(10(16)12(18)11(9)17)14(22)21-6-3-4(19)1-2-5(6)20-13(7)21/h1-3H.
What are the key properties of 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one?
1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 376.00 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-8-fluoroisoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 15404245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).