Completing data — usually done within a minute
Basic information
- CAS
569679-56-7- Standard SMILES
CCC(F)(F)COC(=O)c1ccccc1- InChIKey
UQMYWABFVHDFJU-UHFFFAOYSA-N- Molecular formula
- C11H12F2O2
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08053606
Names & identifiers
- Preferred name
- 2,2-Difluorobutyl benzoate
- IUPAC
- 2,2-difluorobutyl benzoate
Names & synonyms
2,2-difluorobutyl benzoateSCHEMBL8259311UQMYWABFVHDFJU-UHFFFAOYSA-NDTXSID7012891251-Butanol, 2,2-difluoro-, 1-benzoate569679-56-7
Database identifiers
- CAS
569679-56-7- PubChem CID
- 58747010
- DTXSID
DTXSID701289125
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
1 records
Compound notes
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