Basic information
- CAS
6351-69-5- Standard SMILES
CCOC(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C#N)c1C- InChIKey
WUUPUSKCSKAHGS-UHFFFAOYSA-N- Molecular formula
- C16H9F13N2O3S
- Average molar mass
- 556.3 g/mol
- Monoisotopic mass
- 556.0126294
Names & identifiers
- Preferred name
- Ethyl 4-cyano-3-methyl-5-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)amino]thiophene-2-carboxylate
- IUPAC
- ethyl 4-cyano-3-methyl-5-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-2-carboxylate
Names & synonyms
6351-69-5Ethyl 4-cyano-3-methyl-5-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)amino]thiophene-2-carboxylateDTXSID90410836AKOS002950235Ethyl 4-cyano-3-methyl-5-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamido)thiophene-2-carboxylate
Database identifiers
- CAS
6351-69-5- PubChem CID
- 5218596
- DTXSID
DTXSID90410836
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 884
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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