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

C4H2F4N2S — CID 141237825

IUPAC4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole
SMILESFCc1nnsc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)11-10-9-2/h1H2
InChIKeyMCGVBMGBANRJCK-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.03
Rot. Bonds1

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

4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole (PubChem CID 141237825) has the molecular formula C4H2F4N2S and a molecular weight of 186.13 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole
PubChem CID141237825
Molecular FormulaC4H2F4N2S
Molecular Weight186.13 g/mol
Exact Mass185.99
IUPAC Name4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole
SMILESFCc1nnsc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)11-10-9-2/h1H2
InChIKeyMCGVBMGBANRJCK-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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole?
The IUPAC name of 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole (CID 141237825) is 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole.
What is the SMILES notation for 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole?
The canonical SMILES for 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole is FCc1nnsc1C(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole?
The InChIKey is MCGVBMGBANRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N2S/c5-1-2-3(4(6,7)8)11-10-9-2/h1H2.
What are the key properties of 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole?
4-(fluoromethyl)-5-(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 4-(fluoromethyl)-5-(trifluoromethyl)thiadiazole is sourced from PubChem (CID 141237825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).