Basic information
- CAS
34848-42-5- Standard SMILES
CCC(C(O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
DHVREESYNHRABM-UHFFFAOYSA-N- Molecular formula
- C11H12F6O2S
- Average molar mass
- 322.27 g/mol
- Monoisotopic mass
- 322.04621977
Names & identifiers
- Preferred name
- 2-Ethyl-4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
- IUPAC
- 2-ethyl-4,4,4-trifluoro-1-thiophen-2-yl-3-(trifluoromethyl)butane-1,3-diol
Names & synonyms
34848-42-5DTXSID109563422-ethyl-4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diolRefChem:1063051DTXCID5013843092-Ethyl-1-(2-thienyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol1,3-BUTANEDIOL, 2-ETHYL-1-(2-THIENYL)-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-NSC 162256NSC162256NSC-162256
Database identifiers
- CAS
34848-42-5- PubChem CID
- 36970
- DTXSID
DTXSID10956342- Nikkaji
- J64.637G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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