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

C4H2ClF3N2OS — CID 43808043

IUPAC3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
SMILESFC(F)(F)COc1nsnc1Cl
InChIInChI=1S/C4H2ClF3N2OS/c5-2-3(10-12-9-2)11-1-4(6,7)8/h1H2
InChIKeyUUJZPGXUMVMWIZ-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.13
Rot. Bonds2

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

3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole (PubChem CID 43808043) has the molecular formula C4H2ClF3N2OS and a molecular weight of 218.59 g/mol. Its IUPAC name is 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
PubChem CID43808043
Molecular FormulaC4H2ClF3N2OS
Molecular Weight218.59 g/mol
Exact Mass217.95
IUPAC Name3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
SMILESFC(F)(F)COc1nsnc1Cl
InChIInChI=1S/C4H2ClF3N2OS/c5-2-3(10-12-9-2)11-1-4(6,7)8/h1H2
InChIKeyUUJZPGXUMVMWIZ-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole (CID 43808043) is 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole is FC(F)(F)COc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole?
The InChIKey is UUJZPGXUMVMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N2OS/c5-2-3(10-12-9-2)11-1-4(6,7)8/h1H2.
What are the key properties of 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole has a molecular weight of 218.59 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43808043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).