5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole

C5H8FN3O2S — CID 130742371

IUPAC5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1S(=O)(=O)CCF
InChIInChI=1S/C5H8FN3O2S/c1-9-5(7-4-8-9)12(10,11)3-2-6/h4H,2-3H2,1H3
InChIKeyBEXHPXWQHBXTSC-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.44
Rot. Bonds3

About 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole

5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole (PubChem CID 130742371) has the molecular formula C5H8FN3O2S and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole
PubChem CID130742371
Molecular FormulaC5H8FN3O2S
Molecular Weight193.20 g/mol
Exact Mass193.03
IUPAC Name5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1S(=O)(=O)CCF
InChIInChI=1S/C5H8FN3O2S/c1-9-5(7-4-8-9)12(10,11)3-2-6/h4H,2-3H2,1H3
InChIKeyBEXHPXWQHBXTSC-UHFFFAOYSA-N
XLogP-0.44
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole (CID 130742371) is 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole is Cn1ncnc1S(=O)(=O)CCF.
What is the InChIKey of 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole?
The InChIKey is BEXHPXWQHBXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S/c1-9-5(7-4-8-9)12(10,11)3-2-6/h4H,2-3H2,1H3.
What are the key properties of 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole?
5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole has a molecular weight of 193.20 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylsulfonyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 130742371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).