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

C20H16F2N2 — CID 15204916

IUPAC2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline
SMILESFc1ccc(-c2nc3c(nc2-c2ccc(F)cc2)CCCC3)cc1
InChIInChI=1S/C20H16F2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h5-12H,1-4H2
InChIKeyXEGZZCUQRPQUAQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.97
Rot. Bonds2

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

2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline (PubChem CID 15204916) has the molecular formula C20H16F2N2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline
PubChem CID15204916
Molecular FormulaC20H16F2N2
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline
SMILESFc1ccc(-c2nc3c(nc2-c2ccc(F)cc2)CCCC3)cc1
InChIInChI=1S/C20H16F2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h5-12H,1-4H2
InChIKeyXEGZZCUQRPQUAQ-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline (CID 15204916) is 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline is Fc1ccc(-c2nc3c(nc2-c2ccc(F)cc2)CCCC3)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is XEGZZCUQRPQUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h5-12H,1-4H2.
What are the key properties of 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline?
2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 322.36 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 15204916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).