5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole

C4H2F4N2S — CID 141237793

IUPAC5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole
SMILESFCc1snnc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)9-10-11-2/h1H2
InChIKeySHIYDADXJDSCTO-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.03
Rot. Bonds1

About 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole

5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole (PubChem CID 141237793) has the molecular formula C4H2F4N2S and a molecular weight of 186.13 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole
PubChem CID141237793
Molecular FormulaC4H2F4N2S
Molecular Weight186.13 g/mol
Exact Mass185.99
IUPAC Name5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole
SMILESFCc1snnc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)9-10-11-2/h1H2
InChIKeySHIYDADXJDSCTO-UHFFFAOYSA-N
XLogP2.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole?
The IUPAC name of 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole (CID 141237793) is 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole?
The canonical SMILES for 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole is FCc1snnc1C(F)(F)F.
What is the InChIKey of 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole?
The InChIKey is SHIYDADXJDSCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)9-10-11-2/h1H2.
What are the key properties of 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole?
5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole has a molecular weight of 186.13 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 141237793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).