7-bromo-1-cyclopropyl-5-fluorobenzotriazole

C9H7BrFN3 — CID 83681293

IUPAC7-bromo-1-cyclopropyl-5-fluorobenzotriazole
SMILESFc1cc(Br)c2c(c1)nnn2C1CC1
InChIInChI=1S/C9H7BrFN3/c10-7-3-5(11)4-8-9(7)14(13-12-8)6-1-2-6/h3-4,6H,1-2H2
InChIKeyUEUWEFAHTAZFGD-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.67
Rot. Bonds1

About 7-bromo-1-cyclopropyl-5-fluorobenzotriazole

7-bromo-1-cyclopropyl-5-fluorobenzotriazole (PubChem CID 83681293) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-5-fluorobenzotriazole.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-5-fluorobenzotriazole
PubChem CID83681293
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name7-bromo-1-cyclopropyl-5-fluorobenzotriazole
SMILESFc1cc(Br)c2c(c1)nnn2C1CC1
InChIInChI=1S/C9H7BrFN3/c10-7-3-5(11)4-8-9(7)14(13-12-8)6-1-2-6/h3-4,6H,1-2H2
InChIKeyUEUWEFAHTAZFGD-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-5-fluorobenzotriazole?
The IUPAC name of 7-bromo-1-cyclopropyl-5-fluorobenzotriazole (CID 83681293) is 7-bromo-1-cyclopropyl-5-fluorobenzotriazole.
What is the SMILES notation for 7-bromo-1-cyclopropyl-5-fluorobenzotriazole?
The canonical SMILES for 7-bromo-1-cyclopropyl-5-fluorobenzotriazole is Fc1cc(Br)c2c(c1)nnn2C1CC1.
What is the InChIKey of 7-bromo-1-cyclopropyl-5-fluorobenzotriazole?
The InChIKey is UEUWEFAHTAZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c10-7-3-5(11)4-8-9(7)14(13-12-8)6-1-2-6/h3-4,6H,1-2H2.
What are the key properties of 7-bromo-1-cyclopropyl-5-fluorobenzotriazole?
7-bromo-1-cyclopropyl-5-fluorobenzotriazole has a molecular weight of 256.08 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-5-fluorobenzotriazole is sourced from PubChem (CID 83681293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).