(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one

C15H7BrClFO2 — CID 18823427

IUPAC(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(F)cccc2Cl)Oc2ccc(Br)cc21
InChIInChI=1S/C15H7BrClFO2/c16-8-4-5-13-10(6-8)15(19)14(20-13)7-9-11(17)2-1-3-12(9)18/h1-7H/b14-7-
InChIKeySQTADJOZCOYJSI-AUWJEWJLSA-N
MW353.57 g/mol
LogP4.86
Rot. Bonds1

About (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one

(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 18823427) has the molecular formula C15H7BrClFO2 and a molecular weight of 353.57 g/mol. Its IUPAC name is (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID18823427
Molecular FormulaC15H7BrClFO2
Molecular Weight353.57 g/mol
Exact Mass351.93
IUPAC Name(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2c(F)cccc2Cl)Oc2ccc(Br)cc21
InChIInChI=1S/C15H7BrClFO2/c16-8-4-5-13-10(6-8)15(19)14(20-13)7-9-11(17)2-1-3-12(9)18/h1-7H/b14-7-
InChIKeySQTADJOZCOYJSI-AUWJEWJLSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one (CID 18823427) is (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2c(F)cccc2Cl)Oc2ccc(Br)cc21.
What is the InChIKey of (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is SQTADJOZCOYJSI-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H7BrClFO2/c16-8-4-5-13-10(6-8)15(19)14(20-13)7-9-11(17)2-1-3-12(9)18/h1-7H/b14-7-.
What are the key properties of (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one?
(2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 353.57 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-2-[(2-chloro-6-fluorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 18823427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).