5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline

C20H10Br2F2N2 — CID 58500678

IUPAC5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H10Br2F2N2/c21-15-9-10-16(22)20-19(15)25-17(11-1-5-13(23)6-2-11)18(26-20)12-3-7-14(24)8-4-12/h1-10H
InChIKeyFTAJTTYUUABKEV-UHFFFAOYSA-N
MW476.12 g/mol
LogP6.77
Rot. Bonds2

About 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline

5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline (PubChem CID 58500678) has the molecular formula C20H10Br2F2N2 and a molecular weight of 476.12 g/mol. Its IUPAC name is 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline
PubChem CID58500678
Molecular FormulaC20H10Br2F2N2
Molecular Weight476.12 g/mol
Exact Mass473.92
IUPAC Name5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H10Br2F2N2/c21-15-9-10-16(22)20-19(15)25-17(11-1-5-13(23)6-2-11)18(26-20)12-3-7-14(24)8-4-12/h1-10H
InChIKeyFTAJTTYUUABKEV-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.12
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline?
The IUPAC name of 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline (CID 58500678) is 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline?
The InChIKey is FTAJTTYUUABKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2F2N2/c21-15-9-10-16(22)20-19(15)25-17(11-1-5-13(23)6-2-11)18(26-20)12-3-7-14(24)8-4-12/h1-10H.
What are the key properties of 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline?
5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline has a molecular weight of 476.12 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2,3-bis(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 58500678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).