6-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
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Basic information
- CAS
104761-44-6- Standard SMILES
Cc1c2ccccc2c(C)c2c3c(cc(F)c12)CCCC3- InChIKey
FWATUVNMVBJVHQ-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-THDMBA
Names & identifiers
- Preferred name
- 6-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
- IUPAC
- 6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
- English name
- 6-fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)
- Molecular formula
- C20H19F
- Molecular weight
- 278.36
Names & synonyms
6-fluoro-THDMBA6-Fluoro-(1,2,3,4-tetrahydro-7,12-dimethylbenz(a)anthracene)6F-THDMBARefChem:913927104761-44-6Benz(a)anthracene, 1,2,3,4-tetrahydro-7,12-dimethyl-6-fluoro-BRN 55716191,2,3,4-Tetrahydro-7,12-dimethyl-6-fluorobenz(a)anthraceneDTXSID401466986-FLUORO-7,12-DIMETHYL-1,2,3,4-TETRAHYDROTETRAPHENEBenz[a]anthracene, 6-fluoro-1,2,3,4-tetrahydro-7,12-dimethyl-
Database identifiers
- CAS
104761-44-6- PubChem CID
- 128666
- DTXSID
DTXSID40146698- Nikkaji
- J486.561H
Properties
Computed structural propertiesFilling in
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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