5,7-Difluorochroman-4-one

C9H6F2O2CAS 844648-22-2184.14 g/mol

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OOFF
Aryl halideEtherKetone

Properties

Molecular formula
C9H6F2O2
Molar mass
184.14 g/mol
Exact mass
184.0336 Da
logP
1.93Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
844648-22-2
SMILES
C1COC2=C(C1=O)C(=CC(=C2)F)F
InChIKey
OJVRCPGUGZXUAP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2

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Work with 5,7-Difluorochroman-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

7-Fluoro-4-chromanone113209-68-058 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-357 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-054 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-445 % similar 2,4,6-Trifluorobenzoic acid28314-80-943 % similar 2',4',6'-Trifluoroacetophenone51788-77-343 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-743 % similar 2,4,6-Trifluorobenzamide82019-50-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-2,6-Difluorocinnamic acid102082-89-3 trans-3,4-Difluorocinnamic acid112897-97-9 trans-2,5-Difluorocinnamic acid112898-33-6 3,5-Difluorocinnamic acid147700-58-1 3-(2,3-Difluorophenyl)-2-propenoic acid207981-48-4 2,4-Difluorocinnamic acid774-73-2 3,5-Difluorocinnamic acid84315-23-1 2,4-Difluorocinnamic acid94977-52-3

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