6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole

C9H9F2N3 — CID 146550378

IUPAC6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole
SMILESC=Cc1cc2c(c(F)c1F)N(C)NN2
InChIInChI=1S/C9H9F2N3/c1-3-5-4-6-9(8(11)7(5)10)14(2)13-12-6/h3-4,12-13H,1H2,2H3
InChIKeyZQFRDWPMAVHKLF-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.89
Rot. Bonds1

About 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole

6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole (PubChem CID 146550378) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole.

Molecular Properties

Compound Name6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole
PubChem CID146550378
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole
SMILESC=Cc1cc2c(c(F)c1F)N(C)NN2
InChIInChI=1S/C9H9F2N3/c1-3-5-4-6-9(8(11)7(5)10)14(2)13-12-6/h3-4,12-13H,1H2,2H3
InChIKeyZQFRDWPMAVHKLF-UHFFFAOYSA-N
XLogP1.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole?
The IUPAC name of 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole (CID 146550378) is 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole.
What is the SMILES notation for 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole?
The canonical SMILES for 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole is C=Cc1cc2c(c(F)c1F)N(C)NN2.
What is the InChIKey of 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole?
The InChIKey is ZQFRDWPMAVHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-3-5-4-6-9(8(11)7(5)10)14(2)13-12-6/h3-4,12-13H,1H2,2H3.
What are the key properties of 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole?
6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole has a molecular weight of 197.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4,5-difluoro-3-methyl-1,2-dihydrobenzotriazole is sourced from PubChem (CID 146550378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).