(1S)-1-[2-(trifluoromethyl)phenyl]ethanamine

(1S)-1-[2-(trifluoromethyl)phenyl]ethanamine

CAS: 127733-39-5

Formula: C9H10F3N

SMILES: C[C@H](N)C1=C(C=CC=C1)C(F)(F)F

IUPAC: (1S)-1-[2-(trifluoromethyl)phenyl]ethan-1-amine

InChI: InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1

Composition: C (57.14%), H (5.33%), F (30.13%), N (7.40%)

Molar Mass: 189.181

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	189.076533815
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DPLIMKBGTYIUCB-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.92
Topological Polar Surface Area	26.02
Polarizability	16.59
Ring Count	1
Rotatable Bond Count	2

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