Basic information
- CAS
34848-35-6- Standard SMILES
COc1ccc(C(O)C(C)C(O)(C(F)(F)F)C(F)(F)F)cc1- InChIKey
CPGVZBGRVUGICW-UHFFFAOYSA-N- Molecular formula
- C13H14F6O3
- Average molar mass
- 332.24 g/mol
- Monoisotopic mass
- 332.08471328
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 4,4,4-trifluoro-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-35-64,4,4-trifluoro-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diolDTXSID80956339RefChem:1069301DTXCID401384306NSC1621891,3-BUTANEDIOL, 1-(p-ANISYL)-2-METHYL-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-NSC 162189BRN 20050331-(p-Anisyl)-2-methyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediolNSC-1621894,4,4-Trifluoro-1-(4-methoxyphenyl)-2-methyl-3-(trifluoromethyl)-1,3-butanediol
Database identifiers
- CAS
34848-35-6- PubChem CID
- 36965
- DTXSID
DTXSID80956339- Nikkaji
- J64.621K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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