3,3-Difluoro-4-phenylpyrrolidine
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Basic information
- CAS
1381980-31-9- Standard SMILES
FC1(F)CNCC1c1ccccc1- InChIKey
XZSGMKWPEBMKHU-UHFFFAOYSA-N- Molecular formula
- C10H11F2N
- Average molar mass
- 183.2 g/mol
Names & identifiers
- Preferred name
- 3,3-Difluoro-4-phenylpyrrolidine
- IUPAC
- 3,3-difluoro-4-phenylpyrrolidine
- English name
- 3,3-Difluoro-4-phenylpyrrolidine
- Molecular formula
- C10H11F2N
- Molecular weight
- 183.2
Names & synonyms
3,3-difluoro-4-phenylpyrrolidine1381980-31-93,3-difluoro-4-phenyl-pyrrolidineMFCD30002646AKOS026716739CS-16372CS-0096225EN300-299656P20690F2147-3926Pyrrolidine, 3,3-difluoro-4-phenyl-
Database identifiers
- CAS
1381980-31-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 247.5 · 247.5±40.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 6.46 · 6.46±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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