Basic information
- CAS
27603-12-9- Standard SMILES
O=C(Nc1nnc(C(F)(F)F)s1)C(Cl)(Cl)Cl- InChIKey
NUBLZNKMBSBWLO-UHFFFAOYSA-N- Molecular formula
- C5HCl3F3N3OS
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 312.8858
Names & identifiers
- Preferred name
- Acetamide, 2,2,2-trichloro-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 2,2,2-trichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Names & synonyms
Acetamide, 2,2,2-trichloro-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-27603-12-92,2,2-Trichloro-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide2,2,2-trichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamideSCHEMBL11617882DTXSID70181996NUBLZNKMBSBWLO-UHFFFAOYSA-N
Database identifiers
- CAS
27603-12-9- PubChem CID
- 147176
- DTXSID
DTXSID70181996
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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