2,6-Difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)benzenamine
Basic information
- CAS
188890-73-5- Standard SMILES
CN(C)c1c(F)cc(-c2nn[nH]n2)cc1F- InChIKey
HXPUWFONCVJJJH-UHFFFAOYSA-N- Molecular formula
- C9H9F2N5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.08260163
Names & identifiers
- Preferred name
- 2,6-Difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)benzenamine
- IUPAC
- 2,6-difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
Names & synonyms
188890-73-52,6-Difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)benzenamineRefChem:248377Maybridge3_000825Oprea1_283843MLS000851234CHEMBL1698956DTXSID301197312HMS1433F11HMS2783J09CCG-49419N1,N1-dimethyl-2,6-difluoro-4-(1H-1,2,3,4-tetraazol-5-yl)aniline
Show more names
IDI1_012212SMR000457577SR-01000638872-12,6-Difluoro-N,N-dimethyl-4-(1H-tetrazol-5-yl)aniline
Database identifiers
- CAS
188890-73-5- PubChem CID
- 2804192
- DTXSID
DTXSID301197312- ChEMBL
CHEMBL1698956
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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