Basic information
- CAS
104695-85-4- Standard SMILES
OC(C(Cl)(Cl)Cl)C(Cl)(Cl)C(F)(F)F- InChIKey
RZCVKUJCDDRGRS-UHFFFAOYSA-N- Molecular formula
- C4H2Cl5F3O
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 297.850038
Names & identifiers
- Preferred name
- 1,1,1,3,3-Pentachloro-4,4,4-trifluorobutan-2-ol
- IUPAC
- 1,1,1,3,3-pentachloro-4,4,4-trifluorobutan-2-ol
Names & synonyms
104695-85-41,1,1,3,3-Pentachloro-4,4,4-trifluorobutan-2-olDTXSID90564666
Database identifiers
- CAS
104695-85-4- PubChem CID
- 14848522
- DTXSID
DTXSID90564666
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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