Basic information
- CAS
959268-33-8- Standard SMILES
O=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
IEZDKPJYXHQICE-UHFFFAOYSA-N- Molecular formula
- C11H6ClF7O2
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 337.9944543
Names & identifiers
- Preferred name
- 4-Chlorobenzyl alcohol, heptafluorobutyrate
- IUPAC
- (4-chlorophenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Names & synonyms
IEZDKPJYXHQICE-UHFFFAOYSA-NDTXSID601353725(4aChlorophenyl)methyl perfluorobutanoate4-Chlorobenzyl alcohol, heptafluorobutyrate959268-33-8
Database identifiers
- CAS
959268-33-8- PubChem CID
- 580469
- DTXSID
DTXSID601353725
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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