5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline

C20H8F6N2 — CID 3662036

IUPAC5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H8F6N2/c21-11-5-1-9(2-6-11)17-18(10-3-7-12(22)8-4-10)28-20-16(26)14(24)13(23)15(25)19(20)27-17/h1-8H
InChIKeyJKUYTTVZWBGJTI-UHFFFAOYSA-N
MW390.29 g/mol
LogP5.80
Rot. Bonds2

About 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline

5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline (PubChem CID 3662036) has the molecular formula C20H8F6N2 and a molecular weight of 390.29 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline
PubChem CID3662036
Molecular FormulaC20H8F6N2
Molecular Weight390.29 g/mol
Exact Mass390.06
IUPAC Name5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H8F6N2/c21-11-5-1-9(2-6-11)17-18(10-3-7-12(22)8-4-10)28-20-16(26)14(24)13(23)15(25)19(20)27-17/h1-8H
InChIKeyJKUYTTVZWBGJTI-UHFFFAOYSA-N
XLogP5.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The IUPAC name of 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline (CID 3662036) is 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The canonical SMILES for 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The InChIKey is JKUYTTVZWBGJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F6N2/c21-11-5-1-9(2-6-11)17-18(10-3-7-12(22)8-4-10)28-20-16(26)14(24)13(23)15(25)19(20)27-17/h1-8H.
What are the key properties of 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline?
5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline has a molecular weight of 390.29 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-2,3-bis(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 3662036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).