3-bromo-7-chloro-4-fluorodibenzofuran

C12H5BrClFO — CID 155007924

IUPAC3-bromo-7-chloro-4-fluorodibenzofuran
SMILESFc1c(Br)ccc2c1oc1cc(Cl)ccc12
InChIInChI=1S/C12H5BrClFO/c13-9-4-3-8-7-2-1-6(14)5-10(7)16-12(8)11(9)15/h1-5H
InChIKeyXXNMLBJBINZQQC-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.14
Rot. Bonds

About 3-bromo-7-chloro-4-fluorodibenzofuran

3-bromo-7-chloro-4-fluorodibenzofuran (PubChem CID 155007924) has the molecular formula C12H5BrClFO and a molecular weight of 299.53 g/mol. Its IUPAC name is 3-bromo-7-chloro-4-fluorodibenzofuran.

Molecular Properties

Compound Name3-bromo-7-chloro-4-fluorodibenzofuran
PubChem CID155007924
Molecular FormulaC12H5BrClFO
Molecular Weight299.53 g/mol
Exact Mass297.92
IUPAC Name3-bromo-7-chloro-4-fluorodibenzofuran
SMILESFc1c(Br)ccc2c1oc1cc(Cl)ccc12
InChIInChI=1S/C12H5BrClFO/c13-9-4-3-8-7-2-1-6(14)5-10(7)16-12(8)11(9)15/h1-5H
InChIKeyXXNMLBJBINZQQC-UHFFFAOYSA-N
XLogP5.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-4-fluorodibenzofuran?
The IUPAC name of 3-bromo-7-chloro-4-fluorodibenzofuran (CID 155007924) is 3-bromo-7-chloro-4-fluorodibenzofuran.
What is the SMILES notation for 3-bromo-7-chloro-4-fluorodibenzofuran?
The canonical SMILES for 3-bromo-7-chloro-4-fluorodibenzofuran is Fc1c(Br)ccc2c1oc1cc(Cl)ccc12.
What is the InChIKey of 3-bromo-7-chloro-4-fluorodibenzofuran?
The InChIKey is XXNMLBJBINZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFO/c13-9-4-3-8-7-2-1-6(14)5-10(7)16-12(8)11(9)15/h1-5H.
What are the key properties of 3-bromo-7-chloro-4-fluorodibenzofuran?
3-bromo-7-chloro-4-fluorodibenzofuran has a molecular weight of 299.53 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-4-fluorodibenzofuran is sourced from PubChem (CID 155007924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).