3-bromo-7-chloro-1-fluorodibenzofuran

C12H5BrClFO — CID 155763700

IUPAC3-bromo-7-chloro-1-fluorodibenzofuran
SMILESFc1cc(Br)cc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C12H5BrClFO/c13-6-3-9(15)12-8-2-1-7(14)5-10(8)16-11(12)4-6/h1-5H
InChIKeyIRIFFRGZCHXRKL-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.14
Rot. Bonds

About 3-bromo-7-chloro-1-fluorodibenzofuran

3-bromo-7-chloro-1-fluorodibenzofuran (PubChem CID 155763700) has the molecular formula C12H5BrClFO and a molecular weight of 299.53 g/mol. Its IUPAC name is 3-bromo-7-chloro-1-fluorodibenzofuran.

Molecular Properties

Compound Name3-bromo-7-chloro-1-fluorodibenzofuran
PubChem CID155763700
Molecular FormulaC12H5BrClFO
Molecular Weight299.53 g/mol
Exact Mass297.92
IUPAC Name3-bromo-7-chloro-1-fluorodibenzofuran
SMILESFc1cc(Br)cc2oc3cc(Cl)ccc3c12
InChIInChI=1S/C12H5BrClFO/c13-6-3-9(15)12-8-2-1-7(14)5-10(8)16-11(12)4-6/h1-5H
InChIKeyIRIFFRGZCHXRKL-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-1-fluorodibenzofuran?
The IUPAC name of 3-bromo-7-chloro-1-fluorodibenzofuran (CID 155763700) is 3-bromo-7-chloro-1-fluorodibenzofuran.
What is the SMILES notation for 3-bromo-7-chloro-1-fluorodibenzofuran?
The canonical SMILES for 3-bromo-7-chloro-1-fluorodibenzofuran is Fc1cc(Br)cc2oc3cc(Cl)ccc3c12.
What is the InChIKey of 3-bromo-7-chloro-1-fluorodibenzofuran?
The InChIKey is IRIFFRGZCHXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFO/c13-6-3-9(15)12-8-2-1-7(14)5-10(8)16-11(12)4-6/h1-5H.
What are the key properties of 3-bromo-7-chloro-1-fluorodibenzofuran?
3-bromo-7-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 3-bromo-7-chloro-1-fluorodibenzofuran is sourced from PubChem (CID 155763700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).