5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole

C3F4N2S — CID 139959853

IUPAC5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3F4N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyMHZQQWBJSIMIFC-UHFFFAOYSA-N
MW172.11 g/mol
LogP1.70
Rot. Bonds

About 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole

5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 139959853) has the molecular formula C3F4N2S and a molecular weight of 172.11 g/mol. Its IUPAC name is 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID139959853
Molecular FormulaC3F4N2S
Molecular Weight172.11 g/mol
Exact Mass171.97
IUPAC Name5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3F4N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyMHZQQWBJSIMIFC-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 139959853) is 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole is Fc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is MHZQQWBJSIMIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4N2S/c4-2-8-1(9-10-2)3(5,6)7.
What are the key properties of 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 172.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 139959853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).