1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
Basic information
- CAS
326-07-8- Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Br)s1- InChIKey
GMRONWZVBITWAM-UHFFFAOYSA-N- Molecular formula
- C10H4BrF7O2S
- Average molar mass
- 401.1 g/mol
- Monoisotopic mass
- 399.90036
Names & identifiers
- Preferred name
- 1-(5-Bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
- IUPAC
- 1-(5-bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione
Names & synonyms
1-(5-bromothiophen-2-yl)-4,4,5,5,6,6,6-heptafluorohexane-1,3-dione326-07-8NSC80385SCHEMBL10874696DTXSID90292119GMRONWZVBITWAM-UHFFFAOYSA-N1,3-Hexanedione,1-(5-bromo-2-thienyl)-4,4,5,5,6,6,6-heptafluoro-NSC-80385DS-008373
Database identifiers
- CAS
326-07-8- PubChem CID
- 255133
- DTXSID
DTXSID90292119
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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