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1-cyclopropyl-1-[3-(trifluoromethyl)phenyl]methanamine hydrochloride

1-cyclopropyl-1-[3-(trifluoromethyl)phenyl]methanamine hydrochloride

CAS: 2138165-87-2

Formula: C11H13ClF3N

SMILES: Cl.NC(C1CC1)C1=CC=CC(=C1)C(F)(F)F

IUPAC: 1-cyclopropyl-1-[3-(trifluoromethyl)phenyl]methanamine hydrochloride

InChI: InChI=1/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H

Composition: C (52.50%), H (5.21%), Cl (14.09%), F (22.65%), N (5.57%)

Molar Mass: 251.68

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 251.0688616
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AEYXRMSWSQYWIG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.12
Topological Polar Surface Area 26.02
Polarizability 19.52
Ring Count 2
Rotatable Bond Count 3

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