CAS 347-93-3|CAS 81112-09-6|3-Chloro-1-(4-fluorophenyl)propan-1-one|3-Chloro-4'-fluoropropiophenone|3-chloro-1-(4-fluorophenyl)propan-1-one|3-chloro-1-(4-fluorophenyl)propan-1-one|2-Chloroethyl-4-fl...

General Information

Structure

Molecular Formula

C₉H₈ClFO

Molecular Mass

186.6106232

Exact Mass

186.02477078

Charge

InChI

InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

InChIKey

AAHQPLJUSLMHHR-UHFFFAOYSA-N

Canonic Smiles

ClCCC(=O)c1ccc(cc1)F

Isomeric Smiles

C(=O)(CCCl)c1ccc(cc1)F

Calculated Properties

JChem

Acid pKa

15.453646

H Acceptors

H Donor

LogD (pH = 5.5)

2.4479518

LogD (pH = 7.4)

2.4479518

Log P

2.4479518

Molar Refractivity

46.1298

Polarizability

17.442333

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Chloro-1-(4-fluorophenyl)propan-1-one3-Chloro-4'-fluoropropiophenone2-Chloroethyl-4-fluorophenyl ketonep-FLUORO-β-CHLOROPROPIOPHENONE3-氯-4′-氟苯丙酮3-Chloro-4′-fluoropropiophenone3-氯-4'-氟苯丙酮3-Chloro-4'-fluoropropiophenone2-Chloroethyl 4-fluorophenyl ketone

IUPAC name

3-chloro-1-(4-fluorophenyl)propan-1-one

IUPAC Traditional name

3-chloro-1-(4-fluorophenyl)propan-1-one

Names and Identifiers

Registration numbers

MDL Number

MFCD00000991

CAS Number

347-93-381112-09-6

Beilstein Number

1866785