2-(3-Bromobenzoylamino)-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-2-thiazoline
Basic information
- Standard SMILES
O=C(NC1=NC(C(F)(F)F)(C(F)(F)F)C(=C(F)C(F)(F)F)S1)c1cccc(Br)c1- InChIKey
GSYXSBODGBEHCT-UHFFFAOYSA-N- Molecular formula
- C14H5BrF10N2OS
- Average molar mass
- 519.16 g/mol
- Monoisotopic mass
- 517.91463
Names & identifiers
- Preferred name
- 2-(3-Bromobenzoylamino)-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-2-thiazoline
- IUPAC
- 3-bromo-N-[5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
Names & synonyms
2-(3-bromobenzoylamino)-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-2-thiazolineSCHEMBL9034850
Database identifiers
- PubChem CID
- 53855729
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 713
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Related reactions
2 records
Compound notes
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