8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline

C11H15FN2 — CID 130526503

IUPAC8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)C1CNc2cccc(F)c2N1
InChIInChI=1S/C11H15FN2/c1-7(2)10-6-13-9-5-3-4-8(12)11(9)14-10/h3-5,7,10,13-14H,6H2,1-2H3
InChIKeyCLTMIEYQTILTLA-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.69
Rot. Bonds1

About 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline

8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 130526503) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
PubChem CID130526503
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)C1CNc2cccc(F)c2N1
InChIInChI=1S/C11H15FN2/c1-7(2)10-6-13-9-5-3-4-8(12)11(9)14-10/h3-5,7,10,13-14H,6H2,1-2H3
InChIKeyCLTMIEYQTILTLA-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline (CID 130526503) is 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline is CC(C)C1CNc2cccc(F)c2N1.
What is the InChIKey of 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is CLTMIEYQTILTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7(2)10-6-13-9-5-3-4-8(12)11(9)14-10/h3-5,7,10,13-14H,6H2,1-2H3.
What are the key properties of 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline?
8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 194.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 130526503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).