3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

C9H11FN2 — CID 162381782

IUPAC3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc2c(cc1F)n(C)n2C
InChIInChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12(3)11(8)2/h4-5H,1-3H3
InChIKeyDWVGBVPUWBYZMR-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.96
Rot. Bonds

About 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 162381782) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID162381782
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc2c(cc1F)n(C)n2C
InChIInChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12(3)11(8)2/h4-5H,1-3H3
InChIKeyDWVGBVPUWBYZMR-UHFFFAOYSA-N
XLogP1.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

5-fluoro-1,6-dimethylbenzotriazole
CID 58514808
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CID 123239325
ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
CID 169161651
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 83857842
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
4-fluoro-2,5-dimethylphenol
CID 22627623
6-fluoro-5-methyl-3-propan-2-yl-1H-benzimidazole-2-thione
CID 103591961
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926
4-fluoro-2,5-dimethylbenzenesulfinate
CID 166959828
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 162381782) is 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is Cc1cc2c(cc1F)n(C)n2C.
What is the InChIKey of 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is DWVGBVPUWBYZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-4-8-9(5-7(6)10)12(3)11(8)2/h4-5H,1-3H3.
What are the key properties of 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 166.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 162381782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).