[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
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Basic information
- CAS
478043-70-8- Standard SMILES
CN1CC(C(=O)c2ccc(F)cc2)C(c2c(F)cccc2Cl)C1- InChIKey
OAJSJXJVFWZAFZ-UHFFFAOYSA-N- Molecular formula
- C18H16ClF2NO
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0888482
Names & identifiers
- Preferred name
- [4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone
- IUPAC
- [4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
- English name
- [4-(2-CHLORO-6-FLUOROPHENYL)-1-METHYLTETRAHYDRO-1H-PYRROL-3-YL](4-FLUOROPHENYL)METHANONE
- Molecular formula
- C18H16ClF2NO
- Molecular weight
- 335.78
Names & synonyms
478043-70-8[4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone3-(2-chloro-6-fluorophenyl)-4-(4-fluorobenzoyl)-1-methylpyrrolidine[4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanoneMFCD01814896C18H16ClF2NOOprea1_707622MLS000721102CHEMBL1388936DTXSID201328518HMS2698J10AKOS005091727
Show more names
Methanone, [4-(2-chloro-6-fluorophenyl)-1-methyl-3-pyrrolidinyl](4-fluorophenyl)-
[4-(2-chloro-6-fluoro-phenyl)-1-methyl-pyrrolidin-3-yl]-(4-fluorophenyl)methanoneSMR0003352914N-737[4-(2-Chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl](4-fluorophenyl)methanone
Database identifiers
- CAS
478043-70-8- PubChem CID
- 4327005
- DTXSID
DTXSID201328518- ChEMBL
CHEMBL1388936
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility40.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 402.1 · 402.1±45.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.60(Predicted)
- 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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