6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline

C9H11FN2 — CID 103594535

IUPAC6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1cc2c(cc1F)NCCN2
InChIInChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11-12H,2-3H2,1H3
InChIKeyJYUASZKRTVFFBW-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.97
Rot. Bonds

About 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline

6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 103594535) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID103594535
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1cc2c(cc1F)NCCN2
InChIInChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11-12H,2-3H2,1H3
InChIKeyJYUASZKRTVFFBW-UHFFFAOYSA-N
XLogP1.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-8-methylspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 103594604
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
7-fluoro-3,3,8-trimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 103594495
5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 103594537
ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole
CID 162382189
7-bromo-8-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 116739886
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
6-fluoro-5-methyl-3H-1,2,3-benzodioxazole
CID 145266889
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
CID 103594586
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one
CID 90750655

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline (CID 103594535) is 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline is Cc1cc2c(cc1F)NCCN2.
What is the InChIKey of 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is JYUASZKRTVFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11-12H,2-3H2,1H3.
What are the key properties of 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline?
6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 166.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 103594535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).