Basic information
- CAS
463298-07-9- Standard SMILES
Cc1ccc(C#N)n1CF- InChIKey
AZEOERVSWQBXMQ-UHFFFAOYSA-N- Molecular formula
- C7H7FN2
- Average molar mass
- 138.14 g/mol
- Monoisotopic mass
- 138.05932639
Names & identifiers
- Preferred name
- 1-(Fluoromethyl)-5-methyl-1H-pyrrole-2-carbonitrile
- IUPAC
- 1-(fluoromethyl)-5-methylpyrrole-2-carbonitrile
- English name
- 1H-Pyrrole-2-carbonitrile,1-(fluoromethyl)-5-methyl-(9CI)
- Molecular formula
- C7H7FN2
- Molecular weight
- 138.1422832
Names & synonyms
1-(Fluoromethyl)-5-methyl-1H-pyrrole-2-carbonitrile463298-07-9DB-2681511H-PYRROLE-2-CARBONITRILE, 1-(FLUOROMETHYL)-5-METHYL-1H-Pyrrole-2-carbonitrile,1-(fluoromethyl)-5-methyl-(9CI)
Database identifiers
- CAS
463298-07-9- PubChem CID
- 45087750
- Nikkaji
- J1.619.925G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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