4-(trifluoromethyl)-1,2,3-benzothiadiazole

C7H3F3N2S — CID 13248534

IUPAC4-(trifluoromethyl)-1,2,3-benzothiadiazole
SMILESFC(F)(F)c1cccc2snnc12
InChIInChI=1S/C7H3F3N2S/c8-7(9,10)4-2-1-3-5-6(4)11-12-13-5/h1-3H
InChIKeyJOMJDVRTEMBRPE-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.71
Rot. Bonds

About 4-(trifluoromethyl)-1,2,3-benzothiadiazole

4-(trifluoromethyl)-1,2,3-benzothiadiazole (PubChem CID 13248534) has the molecular formula C7H3F3N2S and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2,3-benzothiadiazole
PubChem CID13248534
Molecular FormulaC7H3F3N2S
Molecular Weight204.18 g/mol
Exact Mass204.00
IUPAC Name4-(trifluoromethyl)-1,2,3-benzothiadiazole
SMILESFC(F)(F)c1cccc2snnc12
InChIInChI=1S/C7H3F3N2S/c8-7(9,10)4-2-1-3-5-6(4)11-12-13-5/h1-3H
InChIKeyJOMJDVRTEMBRPE-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2,3-benzothiadiazole?
The IUPAC name of 4-(trifluoromethyl)-1,2,3-benzothiadiazole (CID 13248534) is 4-(trifluoromethyl)-1,2,3-benzothiadiazole.
What is the SMILES notation for 4-(trifluoromethyl)-1,2,3-benzothiadiazole?
The canonical SMILES for 4-(trifluoromethyl)-1,2,3-benzothiadiazole is FC(F)(F)c1cccc2snnc12.
What is the InChIKey of 4-(trifluoromethyl)-1,2,3-benzothiadiazole?
The InChIKey is JOMJDVRTEMBRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2S/c8-7(9,10)4-2-1-3-5-6(4)11-12-13-5/h1-3H.
What are the key properties of 4-(trifluoromethyl)-1,2,3-benzothiadiazole?
4-(trifluoromethyl)-1,2,3-benzothiadiazole has a molecular weight of 204.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2,3-benzothiadiazole is sourced from PubChem (CID 13248534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).