2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline

C12H9F3N2S — CID 1481113

IUPAC2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline
SMILESFC(F)=C(F)CCSc1cnc2ccccc2n1
InChIInChI=1S/C12H9F3N2S/c13-8(12(14)15)5-6-18-11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7H,5-6H2
InChIKeyMWBIKIRCCXZIPE-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.19
Rot. Bonds4

About 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline

2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline (PubChem CID 1481113) has the molecular formula C12H9F3N2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline
PubChem CID1481113
Molecular FormulaC12H9F3N2S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline
SMILESFC(F)=C(F)CCSc1cnc2ccccc2n1
InChIInChI=1S/C12H9F3N2S/c13-8(12(14)15)5-6-18-11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7H,5-6H2
InChIKeyMWBIKIRCCXZIPE-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline (CID 1481113) is 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline is FC(F)=C(F)CCSc1cnc2ccccc2n1.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline?
The InChIKey is MWBIKIRCCXZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2S/c13-8(12(14)15)5-6-18-11-7-16-9-3-1-2-4-10(9)17-11/h1-4,7H,5-6H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline?
2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline has a molecular weight of 270.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline is sourced from PubChem (CID 1481113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).