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1-[4-(trifluoromethyl)phenyl]methanamine hydrochloride

1-[4-(trifluoromethyl)phenyl]methanamine hydrochloride

CAS: 3047-99-2

Formula: C8H9ClF3N

SMILES: Cl.NCC1=CC=C(C=C1)C(F)(F)F

IUPAC: 1-[4-(trifluoromethyl)phenyl]methanamine hydrochloride

InChI: InChI=1S/C8H8F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h1-4H,5,12H2;1H

Composition: C (45.41%), H (4.29%), Cl (16.75%), F (26.93%), N (6.62%)

Molar Mass: 211.61

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.0375615
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DDDIOEYMKVFUGK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.51
Topological Polar Surface Area 26.02
Polarizability 14.79
Ring Count 1
Rotatable Bond Count 2

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