2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

C9H5F3N2S — CID 154271639

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(-c2nncs2)c1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H
InChIKeyXOIFIDQREHFFHJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.22
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (PubChem CID 154271639) has the molecular formula C9H5F3N2S and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
PubChem CID154271639
Molecular FormulaC9H5F3N2S
Molecular Weight230.21 g/mol
Exact Mass230.01
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(-c2nncs2)c1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H
InChIKeyXOIFIDQREHFFHJ-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (CID 154271639) is 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is FC(F)(F)c1cccc(-c2nncs2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The InChIKey is XOIFIDQREHFFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-2-6(4-7)8-14-13-5-15-8/h1-5H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole has a molecular weight of 230.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 154271639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).