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1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine

1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine

CAS: 41213-04-1

Formula: C11H12ClF3N2

SMILES: FC(F)(F)C1=C(Cl)C=CC(=C1)N1CCNCC1

IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine

InChI: InChI=1S/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2

Composition: C (49.92%), H (4.57%), Cl (13.39%), F (21.53%), N (10.58%)

Molar Mass: 264.68

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.0641106
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SOVLQDJRXJFKHO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.02
Topological Polar Surface Area 15.27
Polarizability 22.67
Ring Count 2
Rotatable Bond Count 2

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