1-(4-fluorophenyl)benzotriazole

C12H8FN3 — CID 95930187

IUPAC1-(4-fluorophenyl)benzotriazole
SMILESFc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C12H8FN3/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15-16/h1-8H
InChIKeyPUJHKSMDUBQYQM-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.56
Rot. Bonds1

About 1-(4-fluorophenyl)benzotriazole

1-(4-fluorophenyl)benzotriazole (PubChem CID 95930187) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)benzotriazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)benzotriazole
PubChem CID95930187
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name1-(4-fluorophenyl)benzotriazole
SMILESFc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C12H8FN3/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15-16/h1-8H
InChIKeyPUJHKSMDUBQYQM-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylbenzotriazole
CID 25902
1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-Ethylbenzotriazole
CID 27939
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
1-Propargyl-1H-benzotriazole
CID 727001
1-(Chloromethyl)-1H-benzotriazole
CID 3328222

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)benzotriazole?
The IUPAC name of 1-(4-fluorophenyl)benzotriazole (CID 95930187) is 1-(4-fluorophenyl)benzotriazole.
What is the SMILES notation for 1-(4-fluorophenyl)benzotriazole?
The canonical SMILES for 1-(4-fluorophenyl)benzotriazole is Fc1ccc(-n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)benzotriazole?
The InChIKey is PUJHKSMDUBQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)14-15-16/h1-8H.
What are the key properties of 1-(4-fluorophenyl)benzotriazole?
1-(4-fluorophenyl)benzotriazole has a molecular weight of 213.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)benzotriazole is sourced from PubChem (CID 95930187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).