2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline

C12H9F3N2 — CID 58328016

IUPAC2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline
SMILESC/C=C/c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2/c1-2-5-10-11(12(13,14)15)17-9-7-4-3-6-8(9)16-10/h2-7H,1H3/b5-2+
InChIKeyGHVULCQWMHSFQF-GORDUTHDSA-N
MW238.21 g/mol
LogP3.68
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline

2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline (PubChem CID 58328016) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline
PubChem CID58328016
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline
SMILESC/C=C/c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2/c1-2-5-10-11(12(13,14)15)17-9-7-4-3-6-8(9)16-10/h2-7H,1H3/b5-2+
InChIKeyGHVULCQWMHSFQF-GORDUTHDSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline (CID 58328016) is 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline is C/C=C/c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline?
The InChIKey is GHVULCQWMHSFQF-GORDUTHDSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-2-5-10-11(12(13,14)15)17-9-7-4-3-6-8(9)16-10/h2-7H,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline?
2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline has a molecular weight of 238.21 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 58328016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).