8-tert-butyl-7-fluoro-2-methylquinoxaline

C13H15FN2 — CID 158332659

IUPAC8-tert-butyl-7-fluoro-2-methylquinoxaline
SMILESCc1cnc2ccc(F)c(C(C)(C)C)c2n1
InChIInChI=1S/C13H15FN2/c1-8-7-15-10-6-5-9(14)11(12(10)16-8)13(2,3)4/h5-7H,1-4H3
InChIKeyJQJARNHOBBWGDV-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.37
Rot. Bonds

About 8-tert-butyl-7-fluoro-2-methylquinoxaline

8-tert-butyl-7-fluoro-2-methylquinoxaline (PubChem CID 158332659) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 8-tert-butyl-7-fluoro-2-methylquinoxaline.

Molecular Properties

Compound Name8-tert-butyl-7-fluoro-2-methylquinoxaline
PubChem CID158332659
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name8-tert-butyl-7-fluoro-2-methylquinoxaline
SMILESCc1cnc2ccc(F)c(C(C)(C)C)c2n1
InChIInChI=1S/C13H15FN2/c1-8-7-15-10-6-5-9(14)11(12(10)16-8)13(2,3)4/h5-7H,1-4H3
InChIKeyJQJARNHOBBWGDV-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-methylquinoxaline-5-carbaldehyde
CID 158030897
8-tert-butyl-5-fluoro-2-methylquinoxaline
CID 158332658
8-fluoro-2,6-dimethylquinoxaline
CID 123268515
7-chloro-2-methyl-8-(2,2,2-trichloroethyl)quinoxaline
CID 66882040
2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethanol
CID 177226919
4-tert-butyl-3-fluoro-7-methylquinoline
CID 105471465
5,6,7,8-tetrafluoro-2-methylquinoxaline
CID 98040625
2-tert-butyl-7-fluoro-1,5-naphthyridine
CID 171406590
6-bromo-5-fluoro-2-methylquinoxaline
CID 154727930
3-tert-butyl-2,4-difluoropyridine
CID 165371887
3,8-dimethyl(213C)imidazolo[4,5-f]quinoxalin-2-amine
CID 45038124
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-4-tert-butyl-5-fluoro-1,3-benzothiazole
CID 174340214

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-fluoro-2-methylquinoxaline?
The IUPAC name of 8-tert-butyl-7-fluoro-2-methylquinoxaline (CID 158332659) is 8-tert-butyl-7-fluoro-2-methylquinoxaline.
What is the SMILES notation for 8-tert-butyl-7-fluoro-2-methylquinoxaline?
The canonical SMILES for 8-tert-butyl-7-fluoro-2-methylquinoxaline is Cc1cnc2ccc(F)c(C(C)(C)C)c2n1.
What is the InChIKey of 8-tert-butyl-7-fluoro-2-methylquinoxaline?
The InChIKey is JQJARNHOBBWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-8-7-15-10-6-5-9(14)11(12(10)16-8)13(2,3)4/h5-7H,1-4H3.
What are the key properties of 8-tert-butyl-7-fluoro-2-methylquinoxaline?
8-tert-butyl-7-fluoro-2-methylquinoxaline has a molecular weight of 218.27 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-fluoro-2-methylquinoxaline is sourced from PubChem (CID 158332659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).