5-fluoro-2H-benzotriazole

C6H4FN3 — CID 586225

IUPAC5-fluoro-2H-benzotriazole
SMILESFc1ccc2n[nH]nc2c1
InChIInChI=1S/C6H4FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKeySYGGDXKMRDPIKQ-UHFFFAOYSA-N
MW137.12 g/mol
LogP1.10
Rot. Bonds

About 5-fluoro-2H-benzotriazole

5-fluoro-2H-benzotriazole (PubChem CID 586225) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 5-fluoro-2H-benzotriazole.

Molecular Properties

Compound Name5-fluoro-2H-benzotriazole
PubChem CID586225
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name5-fluoro-2H-benzotriazole
SMILESFc1ccc2n[nH]nc2c1
InChIInChI=1S/C6H4FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
InChIKeySYGGDXKMRDPIKQ-UHFFFAOYSA-N
XLogP1.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Benzotriazole
CID 7220
1-Hydroxybenzotriazole
CID 75771
5-Methyl-1H-benzotriazole
CID 8705
4-Methyl-1H-benzotriazole
CID 122499
1-Aminobenzotriazole
CID 1367
5-Chlorobenzotriazole
CID 66760
2,1,3-Benzothiadiazole
CID 67502
1H-Benzotriazol-6-amine
CID 76844
sodium 1H-benzotriazolide
CID 3517935
1-Chlorobenzotriazole
CID 88761
2H-1,2,3-Benzotriazol-2-amine
CID 295514
1-Hydroxybenzotriazole hydrate
CID 2796029

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-benzotriazole?
The IUPAC name of 5-fluoro-2H-benzotriazole (CID 586225) is 5-fluoro-2H-benzotriazole.
What is the SMILES notation for 5-fluoro-2H-benzotriazole?
The canonical SMILES for 5-fluoro-2H-benzotriazole is Fc1ccc2n[nH]nc2c1.
What is the InChIKey of 5-fluoro-2H-benzotriazole?
The InChIKey is SYGGDXKMRDPIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10).
What are the key properties of 5-fluoro-2H-benzotriazole?
5-fluoro-2H-benzotriazole has a molecular weight of 137.12 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-benzotriazole is sourced from PubChem (CID 586225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).