Basic information
- Standard SMILES
CC(C)CC(F)(F)c1cnc2c(c1)NCC2(C)C- InChIKey
DNZOYTVNUZWUMN-UHFFFAOYSA-N- Molecular formula
- C14H20F2N2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15945497
Names & identifiers
- Preferred name
- 6-(1,1-Difluoro-3-methyl-butyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine
- IUPAC
- 6-(1,1-difluoro-3-methylbutyl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
Names & synonyms
6-(1,1-Difluoro-3-methyl-butyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridineSCHEMBL13732370
Database identifiers
- PubChem CID
- 70980327
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Related reactions
1 records
Compound notes
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