Basic information
- CAS
549497-98-5- Standard SMILES
CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc(C)c1C- InChIKey
XOLWAWYZHNGROR-UHFFFAOYSA-N- Molecular formula
- C14H12F9NO3S
- Average molar mass
- 445.3 g/mol
- Monoisotopic mass
- 445.03941788
Names & identifiers
- Preferred name
- Ethyl 4,5-dimethyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]-3-thiophenecarboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)thiophene-3-carboxylate
- English name
- ethyl 4,5-dimethyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]-3-thiophenecarboxylate
- Molecular formula
- C14H12F9NO3S
- Molecular weight
- 445.3006088
Names & synonyms
ethyl 4,5-dimethyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]-3-thiophenecarboxylateSTK315492AKOS003848720ethyl 4,5-dimethyl-2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)thiophene-3-carboxylateAK-968/40316852ETHYL 4,5-DIMETHYL-2-(2,2,3,3,4,4,5,5,5-NONAFLUOROPENTANAMIDO)THIOPHENE-3-CARBOXYLATEethyl 4,5-dimethyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)amino]thiophene-3-carboxylate
Database identifiers
- CAS
549497-98-5- PubChem CID
- 1753475
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 611
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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