Basic information
- CAS
53896-18-7- Standard SMILES
COC(c1cccc(C(OC)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F- InChIKey
LMCQMUJILSGEOI-UHFFFAOYSA-N- Molecular formula
- C14H10F12O2
- Average molar mass
- 438.21 g/mol
- Monoisotopic mass
- 438.0489175
Names & identifiers
- Preferred name
- 1,3-Bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
- IUPAC
- 1,3-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
Names & synonyms
1,3-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene53896-18-7NSC361395SCHEMBL2804063SCHEMBL10878692DTXSID00320553LMCQMUJILSGEOI-UHFFFAOYSA-NNSC-361395Benzene, 1,3-bis[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]-
Database identifiers
- CAS
53896-18-7- PubChem CID
- 338474
- DTXSID
DTXSID00320553
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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