3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
Basic information
- CAS
58327-26-7- Standard SMILES
CC1CC(OC(=O)C(Oc2ccc(F)cc2)Oc2ccc(F)cc2)CC(C)(C)C1- InChIKey
LBAMKTMZRVORDC-UHFFFAOYSA-N- Molecular formula
- C23H26F2O4
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.17991563
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate
- IUPAC
- (3,3,5-trimethylcyclohexyl) 2,2-bis(4-fluorophenoxy)acetate
Names & synonyms
3,3,5-Trimethylcyclohexyl bis(4-fluorophenoxy)acetate58327-26-7DTXSID70973893RefChem:1065581DTXCID701401333BRN 2308621Bis(4-fluorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl esterAcetic acid, bis(4-fluorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
Database identifiers
- CAS
58327-26-7- PubChem CID
- 3045128
- DTXSID
DTXSID70973893
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…