5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole

C5H4ClF3N2OS — CID 103476977

IUPAC5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)COCc1nsc(Cl)n1
InChIInChI=1S/C5H4ClF3N2OS/c6-4-10-3(11-13-4)1-12-2-5(7,8)9/h1-2H2
InChIKeyLMZBFKNCYSFYRW-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole

5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole (PubChem CID 103476977) has the molecular formula C5H4ClF3N2OS and a molecular weight of 232.61 g/mol. Its IUPAC name is 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
PubChem CID103476977
Molecular FormulaC5H4ClF3N2OS
Molecular Weight232.61 g/mol
Exact Mass231.97
IUPAC Name5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)COCc1nsc(Cl)n1
InChIInChI=1S/C5H4ClF3N2OS/c6-4-10-3(11-13-4)1-12-2-5(7,8)9/h1-2H2
InChIKeyLMZBFKNCYSFYRW-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole (CID 103476977) is 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole is FC(F)(F)COCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole?
The InChIKey is LMZBFKNCYSFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2OS/c6-4-10-3(11-13-4)1-12-2-5(7,8)9/h1-2H2.
What are the key properties of 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole?
5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole has a molecular weight of 232.61 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 103476977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).