4-(2-fluorophenyl)-2,5-dimethyltriazole

C10H10FN3 — CID 67563592

IUPAC4-(2-fluorophenyl)-2,5-dimethyltriazole
SMILESCc1nn(C)nc1-c1ccccc1F
InChIInChI=1S/C10H10FN3/c1-7-10(13-14(2)12-7)8-5-3-4-6-9(8)11/h3-6H,1-2H3
InChIKeyPFDMNSINRRZOMZ-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.93
Rot. Bonds1

About 4-(2-fluorophenyl)-2,5-dimethyltriazole

4-(2-fluorophenyl)-2,5-dimethyltriazole (PubChem CID 67563592) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,5-dimethyltriazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,5-dimethyltriazole
PubChem CID67563592
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name4-(2-fluorophenyl)-2,5-dimethyltriazole
SMILESCc1nn(C)nc1-c1ccccc1F
InChIInChI=1S/C10H10FN3/c1-7-10(13-14(2)12-7)8-5-3-4-6-9(8)11/h3-6H,1-2H3
InChIKeyPFDMNSINRRZOMZ-UHFFFAOYSA-N
XLogP1.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,5-dimethyltriazole?
The IUPAC name of 4-(2-fluorophenyl)-2,5-dimethyltriazole (CID 67563592) is 4-(2-fluorophenyl)-2,5-dimethyltriazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2,5-dimethyltriazole?
The canonical SMILES for 4-(2-fluorophenyl)-2,5-dimethyltriazole is Cc1nn(C)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2,5-dimethyltriazole?
The InChIKey is PFDMNSINRRZOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-10(13-14(2)12-7)8-5-3-4-6-9(8)11/h3-6H,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-2,5-dimethyltriazole?
4-(2-fluorophenyl)-2,5-dimethyltriazole has a molecular weight of 191.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,5-dimethyltriazole is sourced from PubChem (CID 67563592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).