1-[(3-Fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxaldehyde
Basic information
- CAS
943115-58-0- Standard SMILES
Cc1cc(C=O)c(C)n1Cc1cccc(F)c1- InChIKey
ZXRIOTJGHWELCR-UHFFFAOYSA-N- Molecular formula
- C14H14FNO
- Average molar mass
- 231.26 g/mol
- Monoisotopic mass
- 231.10594223
Names & identifiers
- Preferred name
- 1-[(3-Fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxaldehyde
- IUPAC
- 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
Names & synonyms
DTXSID0011618171-[(3-Fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxaldehydeAKOS000343551943115-58-01-[(3-Fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Database identifiers
- CAS
943115-58-0- PubChem CID
- 20109618
- DTXSID
DTXSID001161817
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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