5-ethenyl-1-ethyl-6-fluorobenzotriazole

C10H10FN3 — CID 152936015

IUPAC5-ethenyl-1-ethyl-6-fluorobenzotriazole
SMILESC=Cc1cc2nnn(CC)c2cc1F
InChIInChI=1S/C10H10FN3/c1-3-7-5-9-10(6-8(7)11)14(4-2)13-12-9/h3,5-6H,1,4H2,2H3
InChIKeyULWHQZDJZBUWQZ-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.23
Rot. Bonds2

About 5-ethenyl-1-ethyl-6-fluorobenzotriazole

5-ethenyl-1-ethyl-6-fluorobenzotriazole (PubChem CID 152936015) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 5-ethenyl-1-ethyl-6-fluorobenzotriazole.

Molecular Properties

Compound Name5-ethenyl-1-ethyl-6-fluorobenzotriazole
PubChem CID152936015
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name5-ethenyl-1-ethyl-6-fluorobenzotriazole
SMILESC=Cc1cc2nnn(CC)c2cc1F
InChIInChI=1S/C10H10FN3/c1-3-7-5-9-10(6-8(7)11)14(4-2)13-12-9/h3,5-6H,1,4H2,2H3
InChIKeyULWHQZDJZBUWQZ-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-ethyl-6-fluorobenzotriazole?
The IUPAC name of 5-ethenyl-1-ethyl-6-fluorobenzotriazole (CID 152936015) is 5-ethenyl-1-ethyl-6-fluorobenzotriazole.
What is the SMILES notation for 5-ethenyl-1-ethyl-6-fluorobenzotriazole?
The canonical SMILES for 5-ethenyl-1-ethyl-6-fluorobenzotriazole is C=Cc1cc2nnn(CC)c2cc1F.
What is the InChIKey of 5-ethenyl-1-ethyl-6-fluorobenzotriazole?
The InChIKey is ULWHQZDJZBUWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-3-7-5-9-10(6-8(7)11)14(4-2)13-12-9/h3,5-6H,1,4H2,2H3.
What are the key properties of 5-ethenyl-1-ethyl-6-fluorobenzotriazole?
5-ethenyl-1-ethyl-6-fluorobenzotriazole has a molecular weight of 191.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-ethyl-6-fluorobenzotriazole is sourced from PubChem (CID 152936015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).