Ethyl 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanylacetate
Basic information
- CAS
63780-80-3- Standard SMILES
CCOC(=O)CSc1ccc(C)cc1C(O)(C(F)(F)F)C(F)(F)F- InChIKey
HBUXUVXTDYGZFN-UHFFFAOYSA-N- Molecular formula
- C14H14F6O3S
- Average molar mass
- 376.32 g/mol
- Monoisotopic mass
- 376.05678445
Names & identifiers
- Preferred name
- Ethyl 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanylacetate
- IUPAC
- ethyl 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanylacetate
Names & synonyms
63780-80-3NSC266258ethyl 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanylacetateDTXSID00313107NSC-266258Ethyl {[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanyl}acetateAcetic acid, 2-[[4-methyl-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]thio]-,?ethyl ester
Database identifiers
- CAS
63780-80-3- PubChem CID
- 320083
- DTXSID
DTXSID00313107
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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