5-chloro-1-(2-fluorophenyl)triazole

C8H5ClFN3 — CID 115021243

IUPAC5-chloro-1-(2-fluorophenyl)triazole
SMILESFc1ccccc1-n1nncc1Cl
InChIInChI=1S/C8H5ClFN3/c9-8-5-11-12-13(8)7-4-2-1-3-6(7)10/h1-5H
InChIKeyAJAJAYLTSJFBGJ-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.06
Rot. Bonds1

About 5-chloro-1-(2-fluorophenyl)triazole

5-chloro-1-(2-fluorophenyl)triazole (PubChem CID 115021243) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 5-chloro-1-(2-fluorophenyl)triazole.

Molecular Properties

Compound Name5-chloro-1-(2-fluorophenyl)triazole
PubChem CID115021243
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name5-chloro-1-(2-fluorophenyl)triazole
SMILESFc1ccccc1-n1nncc1Cl
InChIInChI=1S/C8H5ClFN3/c9-8-5-11-12-13(8)7-4-2-1-3-6(7)10/h1-5H
InChIKeyAJAJAYLTSJFBGJ-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)triazole-4-carbonitrile
CID 84661292
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine
CID 83892346
3-chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674
4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 83868932
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
2-[3-(2-fluorophenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide
CID 16649463
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
4-(chloromethyl)-5-ethyl-1-(2-fluorophenyl)pyrazole
CID 66438366
5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196524
5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
CID 46197465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-fluorophenyl)triazole?
The IUPAC name of 5-chloro-1-(2-fluorophenyl)triazole (CID 115021243) is 5-chloro-1-(2-fluorophenyl)triazole.
What is the SMILES notation for 5-chloro-1-(2-fluorophenyl)triazole?
The canonical SMILES for 5-chloro-1-(2-fluorophenyl)triazole is Fc1ccccc1-n1nncc1Cl.
What is the InChIKey of 5-chloro-1-(2-fluorophenyl)triazole?
The InChIKey is AJAJAYLTSJFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-8-5-11-12-13(8)7-4-2-1-3-6(7)10/h1-5H.
What are the key properties of 5-chloro-1-(2-fluorophenyl)triazole?
5-chloro-1-(2-fluorophenyl)triazole has a molecular weight of 197.60 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-fluorophenyl)triazole is sourced from PubChem (CID 115021243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).