Cyclopropyl 2-(3-fluorophenyl)ethyl ketone
Basic information
- CAS
898767-77-6- Standard SMILES
O=C(CCc1cccc(F)c1)C1CC1- InChIKey
KWVLAEYOUCATTD-UHFFFAOYSA-N- Molecular formula
- C12H13FO
- Average molar mass
- 192.23 g/mol
- Monoisotopic mass
- 192.0950432
Names & identifiers
- Preferred name
- Cyclopropyl 2-(3-fluorophenyl)ethyl ketone
- IUPAC
- 1-cyclopropyl-3-(3-fluorophenyl)propan-1-one
- English name
- Cyclopropyl 2-(3-fluorophenyl)ethyl ketone
- Molecular formula
- C12H13FO
- Molecular weight
- 192.23
Names & synonyms
898767-77-6CYCLOPROPYL 2-(3-FLUOROPHENYL)ETHYL KETONE1-cyclopropyl-3-(3-fluorophenyl)propan-1-oneMFCD03843551SCHEMBL23866779DTXSID30644557AKOS0126560031-Cyclopropyl-3-(3-fluorophenyl)-1-propanoneCYCLOPROPYL2-(3-FLUOROPHENYL)ETHYLKETONEF2063021-Propanone, 1-cyclopropyl-3-(3-fluorophenyl)-
Database identifiers
- CAS
898767-77-6- PubChem CID
- 24726164
- DTXSID
DTXSID30644557
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 271.4 · 271.4±15.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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