4-bromo-1-cyclobutyl-6-fluorobenzotriazole

C10H9BrFN3 — CID 146036875

IUPAC4-bromo-1-cyclobutyl-6-fluorobenzotriazole
SMILESFc1cc(Br)c2nnn(C3CCC3)c2c1
InChIInChI=1S/C10H9BrFN3/c11-8-4-6(12)5-9-10(8)13-14-15(9)7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyUSKCEISGNUDGBM-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.06
Rot. Bonds1

About 4-bromo-1-cyclobutyl-6-fluorobenzotriazole

4-bromo-1-cyclobutyl-6-fluorobenzotriazole (PubChem CID 146036875) has the molecular formula C10H9BrFN3 and a molecular weight of 270.10 g/mol. Its IUPAC name is 4-bromo-1-cyclobutyl-6-fluorobenzotriazole.

Molecular Properties

Compound Name4-bromo-1-cyclobutyl-6-fluorobenzotriazole
PubChem CID146036875
Molecular FormulaC10H9BrFN3
Molecular Weight270.10 g/mol
Exact Mass269.00
IUPAC Name4-bromo-1-cyclobutyl-6-fluorobenzotriazole
SMILESFc1cc(Br)c2nnn(C3CCC3)c2c1
InChIInChI=1S/C10H9BrFN3/c11-8-4-6(12)5-9-10(8)13-14-15(9)7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyUSKCEISGNUDGBM-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclobutyl-6-fluorobenzotriazole?
The IUPAC name of 4-bromo-1-cyclobutyl-6-fluorobenzotriazole (CID 146036875) is 4-bromo-1-cyclobutyl-6-fluorobenzotriazole.
What is the SMILES notation for 4-bromo-1-cyclobutyl-6-fluorobenzotriazole?
The canonical SMILES for 4-bromo-1-cyclobutyl-6-fluorobenzotriazole is Fc1cc(Br)c2nnn(C3CCC3)c2c1.
What is the InChIKey of 4-bromo-1-cyclobutyl-6-fluorobenzotriazole?
The InChIKey is USKCEISGNUDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-8-4-6(12)5-9-10(8)13-14-15(9)7-2-1-3-7/h4-5,7H,1-3H2.
What are the key properties of 4-bromo-1-cyclobutyl-6-fluorobenzotriazole?
4-bromo-1-cyclobutyl-6-fluorobenzotriazole has a molecular weight of 270.10 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclobutyl-6-fluorobenzotriazole is sourced from PubChem (CID 146036875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).