Basic information
- CAS
34848-41-4- Standard SMILES
CC(C(O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
LGWYICSMQCIHDN-UHFFFAOYSA-N- Molecular formula
- C10H10F6O2S
- Average molar mass
- 308.24 g/mol
- Monoisotopic mass
- 308.0305697
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 4,4,4-trifluoro-2-methyl-1-thiophen-2-yl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-41-4DTXSID509563414,4,4-trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diolRefChem:1069304DTXCID8013843082-Methyl-1-(2-thienyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol1,3-BUTANEDIOL, 2-METHYL-1-(2-THIENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-NSC 162284NSC162284NSC-162284
Database identifiers
- CAS
34848-41-4- PubChem CID
- 36969
- DTXSID
DTXSID50956341- Nikkaji
- J64.641E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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