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1-[(2,3-difluorophenyl)methyl]piperazine hydrochloride

1-[(2,3-difluorophenyl)methyl]piperazine hydrochloride

CAS: 510725-56-1

Formula: C11H15ClF2N2

SMILES: Cl.FC1=CC=CC(CN2CCNCC2)=C1F

IUPAC: 1-[(2,3-difluorophenyl)methyl]piperazine hydrochloride

InChI: InChI=1S/C11H14F2N2.ClH/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15;/h1-3,14H,4-8H2;1H

Composition: C (53.12%), H (6.08%), Cl (14.25%), F (15.28%), N (11.26%)

Molar Mass: 248.7

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.0891825
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QGMOOKXRDMYFBS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.79
Topological Polar Surface Area 15.27
Polarizability 21.19
Ring Count 2
Rotatable Bond Count 2

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