1-[2-chloro-3-(trifluoromethyl)phenyl]methanamine

1-[2-chloro-3-(trifluoromethyl)phenyl]methanamine

CAS: 39226-96-5

Formula: C8H7ClF3N

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

IUPAC: 1-[2-chloro-3-(trifluoromethyl)phenyl]methanamine

InChI: InChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2

Composition: C (45.84%), H (3.37%), Cl (16.91%), F (27.19%), N (6.68%)

Molar Mass: 209.6

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.0219114
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	GRFVQNWTQVWNBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.31
Topological Polar Surface Area	26.02
Polarizability	16.79
Ring Count	1
Rotatable Bond Count	2

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