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

C9H4ClF3N2OS — CID 15050038

IUPAC3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
SMILESFC(F)(F)c1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-5(2-4-6)9(11,12)13/h1-4H
InChIKeyRNQZCGXNDZHLBX-UHFFFAOYSA-N
MW280.66 g/mol
LogP4.00
Rot. Bonds2

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

3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole (PubChem CID 15050038) has the molecular formula C9H4ClF3N2OS and a molecular weight of 280.66 g/mol. Its IUPAC name is 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
PubChem CID15050038
Molecular FormulaC9H4ClF3N2OS
Molecular Weight280.66 g/mol
Exact Mass279.97
IUPAC Name3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole
SMILESFC(F)(F)c1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-5(2-4-6)9(11,12)13/h1-4H
InChIKeyRNQZCGXNDZHLBX-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-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole (CID 15050038) is 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole is FC(F)(F)c1ccc(Oc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
The InChIKey is RNQZCGXNDZHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2OS/c10-7-8(15-17-14-7)16-6-3-1-5(2-4-6)9(11,12)13/h1-4H.
What are the key properties of 3-chloro-4-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole?
3-chloro-4-[4-(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-[4-(trifluoromethyl)phenoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 15050038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).