Basic information
- CAS
34848-36-7- Standard SMILES
CCCC(C(O)c1ccc(OC)cc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
BTXJBVYEOMCESV-UHFFFAOYSA-N- Molecular formula
- C15H18F6O3
- Average molar mass
- 360.29 g/mol
- Monoisotopic mass
- 360.1160134
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(4-methoxyphenyl)-2-propyl-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 4,4,4-trifluoro-1-(4-methoxyphenyl)-2-propyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-36-74,4,4-trifluoro-1-(4-methoxyphenyl)-2-propyl-3-(trifluoromethyl)butane-1,3-diolNSC162255DTXSID50303816NSC-1622551,3-Butanediol, 4,4,4-trifluoro-1-(4-methoxyphenyl)-2-propyl-3-(trifluoromethyl)-
Database identifiers
- CAS
34848-36-7- PubChem CID
- 294232
- DTXSID
DTXSID50303816
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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