6-bromo-3-chloro-1-fluorodibenzofuran

C12H5BrClFO — CID 155763676

IUPAC6-bromo-3-chloro-1-fluorodibenzofuran
SMILESFc1cc(Cl)cc2oc3c(Br)cccc3c12
InChIInChI=1S/C12H5BrClFO/c13-8-3-1-2-7-11-9(15)4-6(14)5-10(11)16-12(7)8/h1-5H
InChIKeyYEZGJTAOCPQNQB-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.14
Rot. Bonds

About 6-bromo-3-chloro-1-fluorodibenzofuran

6-bromo-3-chloro-1-fluorodibenzofuran (PubChem CID 155763676) has the molecular formula C12H5BrClFO and a molecular weight of 299.53 g/mol. Its IUPAC name is 6-bromo-3-chloro-1-fluorodibenzofuran.

Molecular Properties

Compound Name6-bromo-3-chloro-1-fluorodibenzofuran
PubChem CID155763676
Molecular FormulaC12H5BrClFO
Molecular Weight299.53 g/mol
Exact Mass297.92
IUPAC Name6-bromo-3-chloro-1-fluorodibenzofuran
SMILESFc1cc(Cl)cc2oc3c(Br)cccc3c12
InChIInChI=1S/C12H5BrClFO/c13-8-3-1-2-7-11-9(15)4-6(14)5-10(11)16-12(7)8/h1-5H
InChIKeyYEZGJTAOCPQNQB-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 6-bromo-3-chloro-1-fluorodibenzofuran?
The IUPAC name of 6-bromo-3-chloro-1-fluorodibenzofuran (CID 155763676) is 6-bromo-3-chloro-1-fluorodibenzofuran.
What is the SMILES notation for 6-bromo-3-chloro-1-fluorodibenzofuran?
The canonical SMILES for 6-bromo-3-chloro-1-fluorodibenzofuran is Fc1cc(Cl)cc2oc3c(Br)cccc3c12.
What is the InChIKey of 6-bromo-3-chloro-1-fluorodibenzofuran?
The InChIKey is YEZGJTAOCPQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFO/c13-8-3-1-2-7-11-9(15)4-6(14)5-10(11)16-12(7)8/h1-5H.
What are the key properties of 6-bromo-3-chloro-1-fluorodibenzofuran?
6-bromo-3-chloro-1-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 6-bromo-3-chloro-1-fluorodibenzofuran is sourced from PubChem (CID 155763676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).