Completing data — usually done within a minute
Basic information
- CAS
64356-97-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F- InChIKey
UERGJYOTMNFNRT-UHFFFAOYSA-N- Molecular formula
- C13H7F13
- Average molar mass
- 410.17 g/mol
- Monoisotopic mass
- 410.03401708
Names & identifiers
- Preferred name
- Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-
- IUPAC
- [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene
Names & synonyms
64356-97-4Benzene, [3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-SCHEMBL7751952DTXSID20458928[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentylbenzene1-phenyl-2,2-bis (trifluoromethyl)-3,3,4,4,5,5,5-heptafluoropentane
Database identifiers
- CAS
64356-97-4- PubChem CID
- 11212014
- DTXSID
DTXSID20458928
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
3 records
Compound notes
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