N-[2-[1-(4-Ethylphenyl)-1H-tetrazol-5-yl]ethenyl]-2,4-difluorobenzenamine
Basic information
- CAS
710973-60-7- Standard SMILES
CCc1ccc(-n2nnnc2C=CNc2ccc(F)cc2F)cc1- InChIKey
KBWBTYGQKWHAHI-UHFFFAOYSA-N- Molecular formula
- C17H15F2N5
- Average molar mass
- 327.33 g/mol
- Monoisotopic mass
- 327.12955182
Names & identifiers
- Preferred name
- N-[2-[1-(4-Ethylphenyl)-1H-tetrazol-5-yl]ethenyl]-2,4-difluorobenzenamine
- IUPAC
- N-[2-[1-(4-ethylphenyl)tetrazol-5-yl]ethenyl]-2,4-difluoroaniline
Names & synonyms
DTXSID101146949N-[2-[1-(4-Ethylphenyl)-1H-tetrazol-5-yl]ethenyl]-2,4-difluorobenzenamine710973-60-7N-{2-[1-(4-Ethylphenyl)-1H-tetrazol-5-yl]ethenyl}-2,4-difluoroaniline
Database identifiers
- CAS
710973-60-7- PubChem CID
- 3476239
- DTXSID
DTXSID101146949
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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