Basic information
- Standard SMILES
Cc1c(OC2CCCCO2)ccc(Br)c1F- InChIKey
FSUDJWLFFXKJCN-UHFFFAOYSA-N- Molecular formula
- C12H14BrFO2
- Average molar mass
- 289.14 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromo-3-fluoro-2-methylphenoxy)tetrahydropyran
- IUPAC
- 2-(4-bromo-3-fluoro-2-methylphenoxy)oxane
Names & synonyms
1312478-92-42-(4-Bromo-3-fluoro-2-methylphenoxy)tetrahydropyran2-(4-bromo-3-fluoro-2-methylphenoxy)tetrahydro-2H-pyranSCHEMBL2016648FSUDJWLFFXKJCN-UHFFFAOYSA-NDB-2021632-(4-bromo-3-fluoro-2-methyl phenoxy)tetrahydro-2H-pyran2-(4-Bromo-3-fluoro-2-methylphenoxy)tetrahydropyran, 97%
Database identifiers
- PubChem CID
- 67249012
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
4 records
Compound notes
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