CAS 75462-59-8|3,5-Bis(trifluoromethyl)benzyl chloride|1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene|1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene|3,5-双(三氟甲基)氯苄|3,5-Bis(trifluoromethyl)...

General Information

Structure

Molecular Formula

C₉H₅ClF₆

Molecular Mass

262.5794192

Exact Mass

261.99839716

Charge

InChI

InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

InChIKey

OINTXXMBRBLMHH-UHFFFAOYSA-N

Canonic Smiles

ClCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(cc(cc(c1)CCl)C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.316185

LogD (pH = 7.4)

4.316185

Log P

4.316185

Molar Refractivity

47.8723

Polarizability

16.894009

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene

IUPAC name

1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene

Synonyms

3,5-Bis(trifluoromethyl)benzyl chloride3,5-双(三氟甲基)苄基氯3,5-双(三氟甲基)氯苄1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene3,5-Bis(trifluoromethyl)benzyl chloride3,5-Bis(trifluoromethyl)-1-(chloromethyl)benzene3,5-Bis(trifluoromethyl)benzyl chloride 98%1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

EC Number

PubChem SID