3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole

C9H4ClF3N2OS — CID 60726745

IUPAC3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
SMILESFC(F)(F)c1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-2-5(4-6)9(11,12)13/h1-4H
InChIKeyUWLSSBYIICUJNN-UHFFFAOYSA-N
MW280.66 g/mol
LogP4.00
Rot. Bonds2

About 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole

3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole (PubChem CID 60726745) has the molecular formula C9H4ClF3N2OS and a molecular weight of 280.66 g/mol. Its IUPAC name is 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
PubChem CID60726745
Molecular FormulaC9H4ClF3N2OS
Molecular Weight280.66 g/mol
Exact Mass279.97
IUPAC Name3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
SMILESFC(F)(F)c1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-2-5(4-6)9(11,12)13/h1-4H
InChIKeyUWLSSBYIICUJNN-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole (CID 60726745) is 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole is FC(F)(F)c1cccc(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The InChIKey is UWLSSBYIICUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-2-5(4-6)9(11,12)13/h1-4H.
What are the key properties of 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole has a molecular weight of 280.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 60726745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).