2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole

C12H15F2N3 — CID 142615524

IUPAC2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole
SMILESCCCCn1nc2c(C)c(F)c(F)c(C)c2n1
InChIInChI=1S/C12H15F2N3/c1-4-5-6-17-15-11-7(2)9(13)10(14)8(3)12(11)16-17/h4-6H2,1-3H3
InChIKeyQABWEUMZWMUXRD-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.13
Rot. Bonds3

About 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole

2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole (PubChem CID 142615524) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole.

Molecular Properties

Compound Name2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole
PubChem CID142615524
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole
SMILESCCCCn1nc2c(C)c(F)c(F)c(C)c2n1
InChIInChI=1S/C12H15F2N3/c1-4-5-6-17-15-11-7(2)9(13)10(14)8(3)12(11)16-17/h4-6H2,1-3H3
InChIKeyQABWEUMZWMUXRD-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole?
The IUPAC name of 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole (CID 142615524) is 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole.
What is the SMILES notation for 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole?
The canonical SMILES for 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole is CCCCn1nc2c(C)c(F)c(F)c(C)c2n1.
What is the InChIKey of 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole?
The InChIKey is QABWEUMZWMUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-4-5-6-17-15-11-7(2)9(13)10(14)8(3)12(11)16-17/h4-6H2,1-3H3.
What are the key properties of 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole?
2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole has a molecular weight of 239.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-difluoro-4,7-dimethylbenzotriazole is sourced from PubChem (CID 142615524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).