1-bromo-7-chloro-3-fluorodibenzofuran

C12H5BrClFO — CID 155763719

IUPAC1-bromo-7-chloro-3-fluorodibenzofuran
SMILESFc1cc(Br)c2c(c1)oc1cc(Cl)ccc12
InChIInChI=1S/C12H5BrClFO/c13-9-4-7(15)5-11-12(9)8-2-1-6(14)3-10(8)16-11/h1-5H
InChIKeyJYLICPOWZULCHM-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.14
Rot. Bonds

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

1-bromo-7-chloro-3-fluorodibenzofuran (PubChem CID 155763719) has the molecular formula C12H5BrClFO and a molecular weight of 299.53 g/mol. Its IUPAC name is 1-bromo-7-chloro-3-fluorodibenzofuran.

Molecular Properties

Compound Name1-bromo-7-chloro-3-fluorodibenzofuran
PubChem CID155763719
Molecular FormulaC12H5BrClFO
Molecular Weight299.53 g/mol
Exact Mass297.92
IUPAC Name1-bromo-7-chloro-3-fluorodibenzofuran
SMILESFc1cc(Br)c2c(c1)oc1cc(Cl)ccc12
InChIInChI=1S/C12H5BrClFO/c13-9-4-7(15)5-11-12(9)8-2-1-6(14)3-10(8)16-11/h1-5H
InChIKeyJYLICPOWZULCHM-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 1-bromo-7-chloro-3-fluorodibenzofuran?
The IUPAC name of 1-bromo-7-chloro-3-fluorodibenzofuran (CID 155763719) is 1-bromo-7-chloro-3-fluorodibenzofuran.
What is the SMILES notation for 1-bromo-7-chloro-3-fluorodibenzofuran?
The canonical SMILES for 1-bromo-7-chloro-3-fluorodibenzofuran is Fc1cc(Br)c2c(c1)oc1cc(Cl)ccc12.
What is the InChIKey of 1-bromo-7-chloro-3-fluorodibenzofuran?
The InChIKey is JYLICPOWZULCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFO/c13-9-4-7(15)5-11-12(9)8-2-1-6(14)3-10(8)16-11/h1-5H.
What are the key properties of 1-bromo-7-chloro-3-fluorodibenzofuran?
1-bromo-7-chloro-3-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 1-bromo-7-chloro-3-fluorodibenzofuran is sourced from PubChem (CID 155763719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).