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5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 799274-07-0

Formula: C9H11ClFN

SMILES: Cl.FC1=CC=CC2=C1CCNC2

IUPAC: 5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride

InChI: InChI=1S/C9H10FN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H

Composition: C (57.61%), H (5.91%), Cl (18.89%), F (10.12%), N (7.46%)

Molar Mass: 187.64

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0564052
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PMDNGEMGKNMLCE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.83
Topological Polar Surface Area 12.03
Polarizability 16.22
Ring Count 2
Rotatable Bond Count 0

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