6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one

C9H7FO2CAS 66892-34-0166.15 g/mol

Open in Covalent MOL file
OOF
Aryl halideEtherKetone

Properties

Molecular formula
C9H7FO2
Molar mass
166.15 g/mol
Exact mass
166.0430 Da
Melting point
111–115 °C
logP
1.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
66892-34-0
SMILES
O=C1CCOc2ccc(F)cc21
InChIKey
SWBBIJZMIGAZHW-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4H-1-Benzopyran-4-one, 6-fluoro-2,3-dihydro-
  • 6-Fluoro-4-chromanone
  • 6-Fluorochromanone
  • 6-Fluoro-2,3-dihydrochromen-4-one
  • 6-Fluoro-3,4-dihydro-2H-1-benzopyran-4-one
  • 6-Fluorodihydrobenzopyran-4-one

Work with 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one

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

6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-364 % similar 6-Chlorochroman-4-one37674-72-962 % similar 6-Methyl-4-chromanone39513-75-262 % similar 6-Methoxy-4-chromanone5802-17-559 % similar Chromanone491-37-257 % similar 6-Nitrochroman-4-one68043-53-855 % similar 6-Fluoro-1-indanone1481-32-954 % similar 5,7-Difluorochroman-4-one844648-22-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Fluoro-4-chromanone113209-68-0 4-Fluoro-7-hydroxy-1-indanone136191-16-7 trans-4-Fluorocinnamic acid14290-86-9 (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one1803573-19-4 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 2-Fluoro-3-phenyl-2-propenoic acid350-90-3 3-(2-Fluorophenyl)-2-propenoic acid451-69-4 3-(3-Fluorophenyl)-2-propenoic acid458-46-8

Elsewhere

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