Basic information
- CAS
67625-06-3- Standard SMILES
CN1CCOC1c1ccc(F)cc1- InChIKey
HHTZQKCQLDEVBO-UHFFFAOYSA-N- Molecular formula
- C10H12FNO
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.09029217
Names & identifiers
- Preferred name
- Oxazolidine, 2-(p-fluorophenyl)-3-methyl-
- IUPAC
- 2-(4-fluorophenyl)-3-methyl-1,3-oxazolidine
- English name
- 2-(p-Fluorophenyl)-3-methyloxazolidine
- Molecular formula
- C10H12FNO
- Molecular weight
- 181.21
Names & synonyms
67625-06-3Oxazolidine, 2-(p-fluorophenyl)-3-methyl-RefChem:10940412-(p-Fluorophenyl)-3-methyloxazolidineBRN 55159662-(4-fluorophenyl)-3-methyl-1,3-oxazolidineDTXSID90986985Oxazolidine, 2-(4-fluorophenyl)-3-methyl-
Database identifiers
- CAS
67625-06-3- PubChem CID
- 3051655
- DTXSID
DTXSID90986985- Nikkaji
- J78.651I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 137 °C · 137 °C(Press: 15 Torr)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 6.61 · 6.61±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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