5-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
Basic information
- CAS
104761-43-5- Standard SMILES
Cc1c2ccccc2c(C)c2c3c(c(F)cc12)CCCC3- InChIKey
QXYAADVFUJBGCF-UHFFFAOYSA-N- Molecular formula
- C20H19F
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.14707877
Overview
structure given in first source; a regioisomeric B-ring fluoro analog of THDMBA; 6F-THDMBA is more potent than 5F-THAMBA
Names & identifiers
- Preferred name
- 5-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
- IUPAC
- 5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
- English name
- 5-fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
- Molecular weight
- 0
Names & synonyms
5F-Thdmba5-Fluoro-thdmbaRefChem:9133695-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)104761-43-5Benz(a)anthracene, 5-fluoro-1,2,3,4-tetrahydro-7,12-dimethyl-DTXSID801466975-FLUORO-7,12-DIMETHYL-1,2,3,4-TETRAHYDROTETRAPHENE
Database identifiers
- CAS
104761-43-5- PubChem CID
- 128665
- DTXSID
DTXSID80146697- Nikkaji
- J486.560J
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
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Related reactions
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Compound notes
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