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N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoroacetamide

CAS: 182141-70-4

Formula: C10H9BrF3NO

SMILES: C[C@H](NC(=O)C(F)(F)F)C1=CC=C(Br)C=C1

IUPAC: N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoroacetamide

InChI: InChI=1S/C10H9BrF3NO/c1-6(15-9(16)10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,15,16)/t6-/m0/s1

Composition: C (40.57%), H (3.06%), Br (26.99%), F (19.25%), N (4.73%), O (5.40%)

Molar Mass: 296.087

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 294.981961
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey SHSKNAGOEXFZER-LURJTMIESA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.03
Topological Polar Surface Area 29.1
Polarizability 21.36
Ring Count 1
Rotatable Bond Count 3

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