CAS 15532-75-9|1-[3-(trifluoromethyl)phenyl]piperazine|N-(3-Trifluoromethylphenyl)piperazine|1-[3-(trifluoromethyl)phenyl]piperazine|1-(α,α,α-三氟-间甲苯)哌嗪|1-(α,α,α-Trifluoro-m-tolyl)pipera...

General Information

Structure

Molecular Formula

C₁₁H₁₃F₃N₂

Molecular Mass

230.2295296

Exact Mass

230.10308309

Charge

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2

InChIKey

KKIMDKMETPPURN-UHFFFAOYSA-N

Canonic Smiles

FC(c1cccc(c1)N1CCNCC1)(F)F

Isomeric Smiles

FC(F)(F)c1cc(ccc1)N1CCNCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.5778066

LogD (pH = 7.4)

0.94479597

Log P

2.42321

Molar Refractivity

57.2157

Polarizability

20.69705

Polar Surface Area

15.27

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-[3-(trifluoromethyl)phenyl]piperazine

Synonyms

N-(3-Trifluoromethylphenyl)piperazine1-(α,α,α-三氟-间甲苯)哌嗪1-(α,α,α-Trifluoro-m-tolyl)piperazineN-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazine1-(3-三氟甲基)苯基哌嗪1(-(3-Trifluoromethyl)phenyl)piperazine3-(1-Piperazinyl)benzotrifluoride1-(3-Trifluoromethyl)phenylpiperazine

IUPAC Traditional name

1-[3-(trifluoromethyl)phenyl]piperazine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

PubChem CID