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

C5H4ClF3N2S — CID 79964450

IUPAC5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESFC(F)(F)CCc1nsc(Cl)n1
InChIInChI=1S/C5H4ClF3N2S/c6-4-10-3(11-12-4)1-2-5(7,8)9/h1-2H2
InChIKeyDKDVERPAVAPFCR-UHFFFAOYSA-N
MW216.61 g/mol
LogP2.69
Rot. Bonds2

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

5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (PubChem CID 79964450) has the molecular formula C5H4ClF3N2S and a molecular weight of 216.61 g/mol. Its IUPAC name is 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
PubChem CID79964450
Molecular FormulaC5H4ClF3N2S
Molecular Weight216.61 g/mol
Exact Mass215.97
IUPAC Name5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESFC(F)(F)CCc1nsc(Cl)n1
InChIInChI=1S/C5H4ClF3N2S/c6-4-10-3(11-12-4)1-2-5(7,8)9/h1-2H2
InChIKeyDKDVERPAVAPFCR-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (CID 79964450) is 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is FC(F)(F)CCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The InChIKey is DKDVERPAVAPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2S/c6-4-10-3(11-12-4)1-2-5(7,8)9/h1-2H2.
What are the key properties of 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole has a molecular weight of 216.61 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 79964450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).