Basic information
- CAS
71316-84-2- Standard SMILES
CNCCSC1=Cc2cc(F)ccc2Oc2ccccc21- InChIKey
CHPITGJOZSVPGL-UHFFFAOYSA-N- Molecular formula
- C17H16FNOS
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.09366347
Names & identifiers
- Preferred name
- 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
- IUPAC
- 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine
Names & synonyms
2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
Database identifiers
- CAS
71316-84-2- PubChem CID
- 53701
- DTXSID
DTXSID70221503
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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