CAS 66892-34-0|6-Fluorochroman-4-one 98%|6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one|6-Fluoro-4-oxochroman|2,3-Dihydro-6-fluoro-4H-1-benzopyran-4-one|2,3-Dihydro-6-fluoro-4H-chromen-4-one|6-fluoro-2,...

Molecular Formula

C₉H₇FO₂

Molecular Mass

166.1490832

Exact Mass

166.04300768

InChI

InChI=1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

InChIKey

SWBBIJZMIGAZHW-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)C(=O)CCO2

Isomeric Smiles

O1CCC(=O)c2c1ccc(c2)F

JChem

Acid pKa

14.1516285

H Acceptors

H Donor

LogD (pH = 5.5)

1.4542657

LogD (pH = 7.4)

1.4542657

Log P

1.4542657

Molar Refractivity

41.2807

Polarizability

15.572339

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2733262

Synonyms

6-Fluoro-4-oxochroman6-Fluorochroman-4-one 98%2,3-Dihydro-6-fluoro-4H-1-benzopyran-4-one2,3-Dihydro-6-fluoro-4H-chromen-4-one6-Fluorochroman-4-one6-FLUORO-4-CHROMANONE6-Fluoro-4-chromanone6-Fluorochroman-4-one6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one6-氟-4-二氢色原酮6-氟苯并二氢吡喃-4-酮

IUPAC name

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

IUPAC Traditional name

6-fluoro-2,3-dihydro-1-benzopyran-4-one

PubChem SID

CAS Number

MDL Number

Beilstein Number