CAS 1071842-61-9 1-Cyclopropyl-2-(4-fluorophenyl)ethanone (HCID 20188359)

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Basic information

CAS: 1071842-61-9
Standard SMILES: O=C(Cc1ccc(F)cc1)C1CC1
InChIKey: YMSQEGGMZUPCFH-UHFFFAOYSA-N
Molecular formula: C11H11FO
Average molar mass: 178.2 g/mol
Monoisotopic mass: 178.07939313

Names & identifiers

Preferred name: 1-Cyclopropyl-2-(4-fluorophenyl)ethanone
IUPAC: 1-cyclopropyl-2-(4-fluorophenyl)ethanone
English name: Cyclopropyl 4-Fluorobenzyl Ketone
Molecular formula: C11H11FO
Molecular weight: 178.2

Names & synonyms

1071842-61-91-cyclopropyl-2-(4-fluorophenyl)ethanoneCyclopropyl 4-Fluorobenzyl Ketone1-Cyclopropyl-2-(4-fluorophenyl)ethan-1-onePrasugrel Impurity 8SCHEMBL9664669DTXSID30603346YMSQEGGMZUPCFH-UHFFFAOYSA-Ncyclopropyl-4-fluorobenzylmethanoneMFCD11934795SY362708DB-230146

Show more names

Ethanone, 1-cyclopropyl-2-(4-fluorophenyl)-Cyclopropyl-4-fluorobenzyl ketone / 4-Fluoro isomer

N14145

Database identifiers

CAS: 1071842-61-9
PubChem CID: 20188359
DTXSID: DTXSID30603346
Nikkaji: J2.786.295K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 43 · 43-45°C
storage temp.: Refrigerator
solubility: Dichloromethane, DMSO, Ethyl Acetate, Methanol
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313