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4-(1-amino-2,2,2-trifluoroethyl)aniline

4-(1-amino-2,2,2-trifluoroethyl)aniline

CAS: 886371-51-3

Formula: C8H9F3N2

SMILES: NC(C1=CC=C(N)C=C1)C(F)(F)F

IUPAC: 4-(1-amino-2,2,2-trifluoroethyl)aniline

InChI: InChI=1/C8H9F3N2/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,7H,12-13H2

Composition: C (50.53%), H (4.77%), F (29.97%), N (14.73%)

Molar Mass: 190.169

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 190.071782787
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey OBHDPXUAHBSVPI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.35
Topological Polar Surface Area 52.04
Polarizability 15.98
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 886371-51-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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