(7r,12r)-5-Fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diol
Basic information
- CAS
104761-42-4- Standard SMILES
C[C@@]1(O)c2ccccc2[C@@](C)(O)c2c1cc(F)c1c2CCCC1- InChIKey
VCJYXSPVNFOHNP-WOJBJXKFSA-N- Molecular formula
- C20H21FO2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.15255807
Names & identifiers
- Preferred name
- (7r,12r)-5-Fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diol
- IUPAC
- (7R,12R)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
Names & synonyms
104761-42-4(7r,12r)-5-fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diolBenz(a)anthracene-7,12-diol, 5-fluoro-1,2,3,4,7,12-hexahydro-7,12-dimethyl-, trans-DTXSID309091785-Fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diol
Database identifiers
- CAS
104761-42-4- PubChem CID
- 184372
- DTXSID
DTXSID30909178
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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