chempirical

Cyclopropyl(4-fluorophenyl)methanone

C10H9FOCAS 772-31-6164.18 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C10H9FO
Molar mass
164.18 g/mol
Exact mass
164.0637 Da
Boiling point
108–112 °C (at 12 Torr)
logP
2.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
772-31-6
SMILES
O=C(c1ccc(F)cc1)C1CC1
InChIKey
MHKHJIJXMVHRAJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

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Names and synonyms

7 names
  • Methanone, cyclopropyl(4-fluorophenyl)-
  • Ketone, cyclopropyl p-fluorophenyl
  • Cyclopropyl 4-fluorophenyl ketone
  • Cyclopropyl p-fluorophenyl ketone
  • p-Fluorophenyl cyclopropyl ketone
  • 4-Fluorophenyl cyclopropyl ketone
  • NSC 70847

Work with Cyclopropyl(4-fluorophenyl)methanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-270 % similar Benzoylcyclopropane3481-02-561 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-160 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-260 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-655 % similar 2-Chloro-1-(4-fluorophenyl)-1-propanone81112-09-655 % similar Cyclobutyl phenyl ketone5407-98-752 % similar Cyclopentyl phenyl ketone5422-88-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Fluoro-2-methylindanone37794-19-7 5-Fluoro-2,3-dihydro-2-methyl-1H-inden-1-one41201-58-5

Elsewhere

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