2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
Basic information
- CAS
34848-33-4- Standard SMILES
CCC(C(O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
KUQJCEHGLUERBM-UHFFFAOYSA-N- Molecular formula
- C13H13F7O2
- Average molar mass
- 334.23 g/mol
- Monoisotopic mass
- 334.08037679
Names & identifiers
- Preferred name
- 2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 2-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-33-4DTXSID609563372-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diolRefChem:1063050DTXCID0013843041,3-BUTANEDIOL, 2-ETHYL-1-(p-FLUOROPHENYL)-3-TRIFLUOROMETHYL-4,4,4-TRIFLUORO-NSC 162254BRN 2004975NSC1622542-Ethyl-1-(4-fluorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediolNSC-162254
Database identifiers
- CAS
34848-33-4- PubChem CID
- 36963
- DTXSID
DTXSID60956337- Nikkaji
- J64.635K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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