CAS 320-50-3|CAS 320-60-5|2,5-Dichlorobenzotrifluoride|1,4-dichloro-2-(trifluoromethyl)benzene|1,4-dichloro-2-(trifluoromethyl)benzene|2,5-Dichlorobenzotrifluoride|2,5-二氯三氟甲苯|2,5-Dichloro-α,...

General Information

Structure

Molecular Formula

C₇H₃Cl₂F₃

Molecular Mass

214.9999296

Exact Mass

213.95639012

Charge

InChI

InChI=1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

InChIKey

DYBYUWVMLBBEMA-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C(F)(F)F)Cl

Isomeric Smiles

c1(ccc(c(c1)C(F)(F)F)Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.0591836

LogD (pH = 7.4)

4.0591836

Log P

4.0591836

Molar Refractivity

41.6413

Polarizability

15.49953

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,5-Dichlorobenzotrifluoride2,5-Dichlorobenzotrifluoride2,5-二氯三氟甲苯2,5-Dichloro-α,α,α-trifluorotoluene2,5-二氯-α,α,α-三氟甲苯2,5-Dichlorobenzotrifluoride 98%1,4-Dichloro-2-(trifluoromethyl)benzene2,5-Dichloro-alpha,alpha,alpha-trifluorotoluene1,4-Dichloro-2-(trifluoromethyl)benzene

IUPAC Traditional name

1,4-dichloro-2-(trifluoromethyl)benzene

IUPAC name

1,4-dichloro-2-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

PubChem CID

35360

PubChem SID

16097239624854774

CAS Number

320-50-3320-60-5