Basic information
- CAS
34848-28-7- Standard SMILES
CCC(C(O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
BBYCIRCWUHSTIC-UHFFFAOYSA-N- Molecular formula
- C13H14F6O2
- Average molar mass
- 316.24 g/mol
- Monoisotopic mass
- 316.08979866
Names & identifiers
- Preferred name
- 1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
- IUPAC
- 2-ethyl-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-28-71,3-BUTANEDIOL, 2-ETHYL-1-PHENYL-3-(TRIFLUOROMETHYL)-4,4,4-TRIFLUORO-RefChem:1052747NSC 162193BRN 1997519NSC1621932-Ethyl-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol2-ethyl-4,4,4-trifluoro-1-phenyl-3-(trifluoromethyl)butane-1,3-diolDTXSID60956332NSC-162193
Database identifiers
- CAS
34848-28-7- PubChem CID
- 36958
- DTXSID
DTXSID60956332- Nikkaji
- J64.636I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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