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2-fluoro-3-(trifluoromethyl)aniline

2-fluoro-3-(trifluoromethyl)aniline

CAS: 123973-25-1

Formula: C7H5F4N

SMILES: NC1=C(F)C(=CC=C1)C(F)(F)F

IUPAC: 2-fluoro-3-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5F4N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2

Composition: C (46.94%), H (2.81%), F (42.43%), N (7.82%)

Molar Mass: 179.118

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.035811817
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YKPDYPPZLUZONK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.95
Topological Polar Surface Area 26.02
Polarizability 12.58
Ring Count 1
Rotatable Bond Count 1

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