1-[5-chloro-2-(trifluoromethoxy)phenyl]methanamine

1-[5-chloro-2-(trifluoromethoxy)phenyl]methanamine

CAS: 874821-50-8

Formula: C8H7ClF3NO

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

IUPAC: 1-[5-chloro-2-(trifluoromethoxy)phenyl]methanamine

InChI: InChI=1S/C8H7ClF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2

Composition: C (42.59%), H (3.13%), Cl (15.71%), F (25.26%), N (6.21%), O (7.09%)

Molar Mass: 225.6

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.016826
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JDHHWYYMKYZFOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.41
Topological Polar Surface Area	35.25
Polarizability	17.56
Ring Count	1
Rotatable Bond Count	3

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