4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole

C8H8FN3S — CID 141116145

IUPAC4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole
SMILESFCCn1cnnc1-c1cccs1
InChIInChI=1S/C8H8FN3S/c9-3-4-12-6-10-11-8(12)7-2-1-5-13-7/h1-2,5-6H,3-4H2
InChIKeyWNGWEUCSUIOHQX-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.98
Rot. Bonds3

About 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole

4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole (PubChem CID 141116145) has the molecular formula C8H8FN3S and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole
PubChem CID141116145
Molecular FormulaC8H8FN3S
Molecular Weight197.24 g/mol
Exact Mass197.04
IUPAC Name4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole
SMILESFCCn1cnnc1-c1cccs1
InChIInChI=1S/C8H8FN3S/c9-3-4-12-6-10-11-8(12)7-2-1-5-13-7/h1-2,5-6H,3-4H2
InChIKeyWNGWEUCSUIOHQX-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole (CID 141116145) is 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole is FCCn1cnnc1-c1cccs1.
What is the InChIKey of 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole?
The InChIKey is WNGWEUCSUIOHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S/c9-3-4-12-6-10-11-8(12)7-2-1-5-13-7/h1-2,5-6H,3-4H2.
What are the key properties of 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole?
4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole has a molecular weight of 197.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 141116145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).