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N-phenyl-3-(trifluoromethyl)aniline

N-phenyl-3-(trifluoromethyl)aniline

CAS: 101-23-5

Formula: C13H10F3N

SMILES: FC(F)(F)C1=CC=CC(NC2=CC=CC=C2)=C1

IUPAC: N-phenyl-3-(trifluoromethyl)aniline

InChI: InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H

Composition: C (65.82%), H (4.25%), F (24.03%), N (5.90%)

Molar Mass: 237.225

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.076533815
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WJCRAVDPIMWFPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.52
Topological Polar Surface Area 12.03
Polarizability 22.05
Ring Count 2
Rotatable Bond Count 3

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