3-[(3,4-Difluorophenyl)methyl]azetidine
Basic information
- CAS
937609-49-9- Standard SMILES
Fc1ccc(CC2CNC2)cc1F- InChIKey
USSXSTMGXCZNMH-UHFFFAOYSA-N- Molecular formula
- C10H11F2N
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08595568
Names & identifiers
- Preferred name
- 3-[(3,4-Difluorophenyl)methyl]azetidine
- IUPAC
- 3-[(3,4-difluorophenyl)methyl]azetidine
- English name
- 3-[(3,4-Difluorophenyl)Methyl]azetidine
- Molecular formula
- C10H11F2N
- Molecular weight
- 183.2
Names & synonyms
937609-49-93-(3,4-difluorobenzyl)azetidine3-[(3,4-Difluorophenyl)methyl]azetidineSCHEMBL21006489DTXSID70588385AKOS000136782SB52046DB-293992CS-0268794EN300-35930Z285233266Azetidine, 3-[(3,4-difluorophenyl)methyl]-
Database identifiers
- CAS
937609-49-9- PubChem CID
- 16780705
- DTXSID
DTXSID70588385
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 236.4 · 236.4±20.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 10.8 · 10.80±0.40(Predicted)
Chemistry & industry
Applications
Uses3-[(3,4-Difluorophenyl)Methyl]azetidine is a 3-aryl substituted Azetidine (A813000) used in the preparation opioid receptor modulators.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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