CAS 459-03-0|CAS 5989-81-1|1-(4-fluorophenyl)propan-2-one|4-Fluorophenylacetone|1-(4-fluorophenyl)propan-2-one|4-Fluorophenylacetone 98%|1-(4-Fluorophenyl)propan-2-one|4-氟苯乙酮|4-Fluorophenylaceto...

General Information

Structure

Molecular Formula

C₉H₉FO

Molecular Mass

152.1655632

Exact Mass

152.06374313

Charge

InChI

InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

InChIKey

ZUEKIIWSVFBTCM-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Cc1ccc(cc1)F

Isomeric Smiles

Fc1ccc(cc1)CC(=O)C

Calculated Properties

JChem

Acid pKa

15.544569

H Acceptors

H Donor

LogD (pH = 5.5)

2.0833216

LogD (pH = 7.4)

2.0833216

Log P

2.0833216

Molar Refractivity

41.1331

Polarizability

15.583331

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(4-fluorophenyl)propan-2-one

Synonyms

4-Fluorophenylacetone4-Fluorophenylacetone 98%1-(4-Fluorophenyl)propan-2-one4-氟苯乙酮4-Fluorophenylacetone(4-Fluorophenyl)acetone1-(p-Fluorophenyl)-2-propanone(4-Fluorophenyl)acetone(4-Fluorophenyl)acetone(p-Fluorophenyl)acetone1-(4-Fluorophenyl)-2-propanone4-氟苯基丙酮3-(4-Fluorophenyl)-2-propanonep-Fluorobenzyl Methyl Ketone4-Fluorobenzyl Methyl Ketone1-(4-fluorophenyl)propan-2-oneU - α-Lactose4-O-β-D-吡喃半乳糖基-α-D-葡萄糖α-乳糖乳糖β-D-Gal-(1→4)-α-D-Glcα-乳糖一水合物

IUPAC Traditional name

1-(4-fluorophenyl)propan-2-one

Names and Identifiers

Registration numbers

PubChem SID

1609716452487083624852568

CAS Number

459-03-05989-81-1

MDL Number

MFCD00000362

Beilstein Number

1936697