5-bromo-1-cyclopentyl-6-fluorobenzotriazole

C11H11BrFN3 — CID 70699925

IUPAC5-bromo-1-cyclopentyl-6-fluorobenzotriazole
SMILESFc1cc2c(cc1Br)nnn2C1CCCC1
InChIInChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyHCZVZONBBCIZSB-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.45
Rot. Bonds1

About 5-bromo-1-cyclopentyl-6-fluorobenzotriazole

5-bromo-1-cyclopentyl-6-fluorobenzotriazole (PubChem CID 70699925) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-1-cyclopentyl-6-fluorobenzotriazole.

Molecular Properties

Compound Name5-bromo-1-cyclopentyl-6-fluorobenzotriazole
PubChem CID70699925
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name5-bromo-1-cyclopentyl-6-fluorobenzotriazole
SMILESFc1cc2c(cc1Br)nnn2C1CCCC1
InChIInChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyHCZVZONBBCIZSB-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopentyl-6-fluorobenzotriazole?
The IUPAC name of 5-bromo-1-cyclopentyl-6-fluorobenzotriazole (CID 70699925) is 5-bromo-1-cyclopentyl-6-fluorobenzotriazole.
What is the SMILES notation for 5-bromo-1-cyclopentyl-6-fluorobenzotriazole?
The canonical SMILES for 5-bromo-1-cyclopentyl-6-fluorobenzotriazole is Fc1cc2c(cc1Br)nnn2C1CCCC1.
What is the InChIKey of 5-bromo-1-cyclopentyl-6-fluorobenzotriazole?
The InChIKey is HCZVZONBBCIZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-bromo-1-cyclopentyl-6-fluorobenzotriazole?
5-bromo-1-cyclopentyl-6-fluorobenzotriazole has a molecular weight of 284.13 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopentyl-6-fluorobenzotriazole is sourced from PubChem (CID 70699925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).