1-[3-(Trifluoromethyl)phenyl]butane-1,4-diol
Basic information
- CAS
118943-35-4- Standard SMILES
OCCCC(O)c1cccc(C(F)(F)F)c1- InChIKey
CBMQEXLICCIWIG-UHFFFAOYSA-N- Molecular formula
- C11H13F3O2
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.08676414
Names & identifiers
- Preferred name
- 1-[3-(Trifluoromethyl)phenyl]butane-1,4-diol
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]butane-1,4-diol
Names & synonyms
1-[3-(trifluoromethyl)phenyl]butane-1,4-diolDTXSID4012553071-[3-(Trifluoromethyl)phenyl]-1,4-butanediol118943-35-4
Database identifiers
- CAS
118943-35-4- PubChem CID
- 85580370
- DTXSID
DTXSID401255307- Nikkaji
- J534.973G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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