Basic information
- Standard SMILES
OC[C@@]1(O)CCOc2c(OC(F)F)cc(Cl)cc21- InChIKey
BISQYEHWUXDOHN-NSHDSACASA-N- Molecular formula
- C11H11ClF2O4
- Average molar mass
- 280.65 g/mol
- Monoisotopic mass
- 280.0313928
Names & identifiers
- Preferred name
- (R)-4-Hydroxy-4-hydroxymethyl-6-chloro-8-difluoromethoxychromane
- IUPAC
- (4R)-6-chloro-8-(difluoromethoxy)-4-(hydroxymethyl)-2,3-dihydrochromen-4-ol
Names & synonyms
(R)-4-Hydroxy-4-hydroxymethyl-6-chloro-8-difluoromethoxychromaneSCHEMBL5402110(r)-4-hydroxy4-hydroxymethyl-6-chloro-8-difluoromethoxychromane
Database identifiers
- PubChem CID
- 69428779
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
3 records
Compound notes
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