5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline

C24H10Br2F10N2 — CID 88990972

IUPAC5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline
SMILESFC(F)(F)C(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H10Br2F10N2/c25-15-9-10-16(26)20-19(15)37-17(11-1-5-13(6-2-11)21(27,28)23(31,32)33)18(38-20)12-3-7-14(8-4-12)22(29,30)24(34,35)36/h1-10H
InChIKeyPYNNVAONEIDJKX-UHFFFAOYSA-N
MW676.15 g/mol
LogP9.80
Rot. Bonds4

About 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline

5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline (PubChem CID 88990972) has the molecular formula C24H10Br2F10N2 and a molecular weight of 676.15 g/mol. Its IUPAC name is 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline
PubChem CID88990972
Molecular FormulaC24H10Br2F10N2
Molecular Weight676.15 g/mol
Exact Mass673.91
IUPAC Name5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline
SMILESFC(F)(F)C(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H10Br2F10N2/c25-15-9-10-16(26)20-19(15)37-17(11-1-5-13(6-2-11)21(27,28)23(31,32)33)18(38-20)12-3-7-14(8-4-12)22(29,30)24(34,35)36/h1-10H
InChIKeyPYNNVAONEIDJKX-UHFFFAOYSA-N
XLogP9.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.15
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline?
The IUPAC name of 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline (CID 88990972) is 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline is FC(F)(F)C(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline?
The InChIKey is PYNNVAONEIDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10Br2F10N2/c25-15-9-10-16(26)20-19(15)37-17(11-1-5-13(6-2-11)21(27,28)23(31,32)33)18(38-20)12-3-7-14(8-4-12)22(29,30)24(34,35)36/h1-10H.
What are the key properties of 5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline?
5,8-dibromo-2,3-bis[4-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline has a molecular weight of 676.15 g/mol, XLogP of 9.80, 4 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-(1,1,2,2,2-pentafluoroethyl)phenyl]quinoxaline is sourced from PubChem (CID 88990972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).