Basic information
- CAS
80154-78-5- Standard SMILES
Cl.NC(Cc1cccc(F)c1)c1cccs1- InChIKey
SIAAHDDADOLGSX-UHFFFAOYSA-N- Molecular formula
- C12H13ClFNS
- Average molar mass
- 257.76 g/mol
- Monoisotopic mass
- 257.0441264
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 2-(3-fluorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
Names & synonyms
80154-78-5DTXSID4010010212-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)RefChem:1061083DTXCID601427978alpha-(m-Fluorobenzyl)-2-thenylamine hydrochloride2-Thenylamine, alpha-(m-fluorobenzyl)-, hydrochloride
Database identifiers
- CAS
80154-78-5- PubChem CID
- 3062014
- DTXSID
DTXSID401001021
Properties
Computed structural properties
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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