Basic information
- CAS
34848-40-3- Standard SMILES
OC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1cccs1- InChIKey
FHFTVNAEXGVSCO-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2F4O2S
- Average molar mass
- 327.12 g/mol
- Monoisotopic mass
- 325.9558187
Names & identifiers
- Preferred name
- 1,3-Butanediol, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-1-(2-thienyl)-
- IUPAC
- 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-thiophen-2-ylbutane-1,3-diol
Names & synonyms
34848-40-31,3-BUTANEDIOL, 4-CHLORO-3-CHLORODIFLUOROMETHYL-4,4-DIFLUORO-1-(2-THIENYL)-RefChem:10527514-Chloro-3-(chlorodifluoromethyl)-4,4-difluoro-1-(2-thienyl)-1,3-butanediolNSC 162139NSC162139NSC-162139
Database identifiers
- CAS
34848-40-3- PubChem CID
- 36968
- Nikkaji
- J64.627J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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