N-[2-(2-chlorophenoxy)ethyl]-3-(trifluoromethyl)aniline

N-[2-(2-chlorophenoxy)ethyl]-3-(trifluoromethyl)aniline

CAS: 1040685-01-5

Formula: C15H13ClF3NO

SMILES: FC(F)(F)C1=CC=CC(NCCOC2=C(Cl)C=CC=C2)=C1

IUPAC: N-[2-(2-chlorophenoxy)ethyl]-3-(trifluoromethyl)aniline

InChI: InChI=1S/C15H13ClF3NO/c16-13-6-1-2-7-14(13)21-9-8-20-12-5-3-4-11(10-12)15(17,18)19/h1-7,10,20H,8-9H2

Composition: C (57.06%), H (4.15%), Cl (11.23%), F (18.05%), N (4.44%), O (5.07%)

Molar Mass: 315.72

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	315.0637762
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PMUMMKZLEYLMCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.58
Topological Polar Surface Area	21.26
Polarizability	28.4
Ring Count	2
Rotatable Bond Count	6

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