8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

C12H17FN2 — CID 115094853

IUPAC8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C(C)C)c2cccc(F)c2N1
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-12-10(13)5-4-6-11(12)15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyCJFRGIUATPCNRA-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.85
Rot. Bonds1

About 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline

8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 115094853) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID115094853
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC1CN(C(C)C)c2cccc(F)c2N1
InChIInChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-12-10(13)5-4-6-11(12)15/h4-6,8-9,14H,7H2,1-3H3
InChIKeyCJFRGIUATPCNRA-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095185
8-fluoro-3-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 115095572
2,4-dimethyl-8-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84620477
2,4,8-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84618404
8-fluoro-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 130526503
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
3-(2,3-difluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 123616336
(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
CID 124511774
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
6-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 83818424
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 115094853) is 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is CC1CN(C(C)C)c2cccc(F)c2N1.
What is the InChIKey of 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is CJFRGIUATPCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8(2)15-7-9(3)14-12-10(13)5-4-6-11(12)15/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline?
8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 208.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).