4-Benzyl-2-(fluoromethyl)morpholine
Basic information
- CAS
763053-99-2- Standard SMILES
FCC1CN(Cc2ccccc2)CCO1- InChIKey
LFDXLMOFFPZQSL-UHFFFAOYSA-N- Molecular formula
- C12H16FNO
- Average molar mass
- 209.26 g/mol
- Monoisotopic mass
- 209.1215923
Names & identifiers
- Preferred name
- 4-Benzyl-2-(fluoromethyl)morpholine
- IUPAC
- 4-benzyl-2-(fluoromethyl)morpholine
- English name
- Morpholine, 2-(fluoroMethyl)-4-(phenylMethyl)-
- Molecular formula
- C12H16FNO
- Molecular weight
- 209.26
Names & synonyms
4-benzyl-2-(fluoromethyl)morpholine763053-99-2SCHEMBL17376540DTXSID70439601DB-3400392-(Fluoromethyl)-4-(phenylmethyl)morpholineMorpholine, 2-(fluoroMethyl)-4-(phenylMethyl)-
Database identifiers
- CAS
763053-99-2- PubChem CID
- 10420614
- DTXSID
DTXSID70439601
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 285.4 · 285.4±25.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 6.05 · 6.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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