Basic information
- CAS
124655-99-8- Standard SMILES
CCCCCCCCC(OC(=O)c1ccc(OCc2ccccc2)cc1)C(F)(F)F- InChIKey
NGORUVZAXQMIPB-UHFFFAOYSA-N- Molecular formula
- C24H29F3O3
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.20687945
Names & identifiers
- Preferred name
- Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)nonyl ester
- IUPAC
- 1,1,1-trifluorodecan-2-yl 4-phenylmethoxybenzoate
Names & synonyms
124655-99-8Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)nonyl esterSCHEMBL8606333DTXSID005635641,1,1-trifluoro-2-decyl 4-benzyloxybenzoate1,1,1-TRIFLUORODECAN-2-YL 4-(BENZYLOXY)BENZOATE
Database identifiers
- CAS
124655-99-8- PubChem CID
- 14745753
- DTXSID
DTXSID00563564
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 467
Related reactions
5 records
Compound notes
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