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7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile hydrochloride

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile hydrochloride

CAS: 1187830-66-5

Formula: C11H10ClF3N2

SMILES: Cl.FC(F)(F)C1=CC2=C(CCNC2)C(=C1)C#N

IUPAC: 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile hydrochloride

InChI: InChI=1S/C11H9F3N2.ClH/c12-11(13,14)9-3-7(5-15)10-1-2-16-6-8(10)4-9;/h3-4,16H,1-2,6H2;1H

Composition: C (50.30%), H (3.84%), Cl (13.50%), F (21.70%), N (10.67%)

Molar Mass: 262.66

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 262.0484605
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YMNDXSNYVDXFEA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.31
Topological Polar Surface Area 35.82
Polarizability 19.51
Ring Count 2
Rotatable Bond Count 1

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