4-(2-fluoroethylsulfanyl)-2H-triazole

C4H6FN3S — CID 130683302

IUPAC4-(2-fluoroethylsulfanyl)-2H-triazole
SMILESFCCSc1cn[nH]n1
InChIInChI=1S/C4H6FN3S/c5-1-2-9-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8)
InChIKeyWTALEKVAACHLSP-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.87
Rot. Bonds3

About 4-(2-fluoroethylsulfanyl)-2H-triazole

4-(2-fluoroethylsulfanyl)-2H-triazole (PubChem CID 130683302) has the molecular formula C4H6FN3S and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfanyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-fluoroethylsulfanyl)-2H-triazole
PubChem CID130683302
Molecular FormulaC4H6FN3S
Molecular Weight147.18 g/mol
Exact Mass147.03
IUPAC Name4-(2-fluoroethylsulfanyl)-2H-triazole
SMILESFCCSc1cn[nH]n1
InChIInChI=1S/C4H6FN3S/c5-1-2-9-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8)
InChIKeyWTALEKVAACHLSP-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfanyl)-2H-triazole?
The IUPAC name of 4-(2-fluoroethylsulfanyl)-2H-triazole (CID 130683302) is 4-(2-fluoroethylsulfanyl)-2H-triazole.
What is the SMILES notation for 4-(2-fluoroethylsulfanyl)-2H-triazole?
The canonical SMILES for 4-(2-fluoroethylsulfanyl)-2H-triazole is FCCSc1cn[nH]n1.
What is the InChIKey of 4-(2-fluoroethylsulfanyl)-2H-triazole?
The InChIKey is WTALEKVAACHLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3S/c5-1-2-9-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8).
What are the key properties of 4-(2-fluoroethylsulfanyl)-2H-triazole?
4-(2-fluoroethylsulfanyl)-2H-triazole has a molecular weight of 147.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfanyl)-2H-triazole is sourced from PubChem (CID 130683302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).