Chem 2 Iodo 4 Trifluoromethyl Aniline Infi

Compound 124
  CheckMol                        TMF02:r0:m0
MF=C7H5F3IN MW=287.03
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3104   -0.7319   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6208    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3222   -2.2194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6326    1.5465   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9312   -0.6965   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6326   -2.9514   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9430   -2.1840   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6444   -4.4389   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1569   -4.4271   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -5.9264   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1555   -4.4271   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8 02  0  1  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2-Iodo-4-trifluoromethyl aniline

₹ 0.00 0.00

Chemical Name - 2-Iodo-4-trifluoromethyl aniline
Mol Weight - 287.018
Smiles - Nc(ccc(C(F)(F)F)c1)c1I

Property Name	Property Value
Mol Name	2-Iodo-4-trifluoromethyl aniline
Molweight	287.018
Monoisotopic Mass	286.941881
Clogp	2.2677
Clogs	-3.486
H Acceptors	1
H Donors	1
Total Surface Area	137.52
Relative Psa	0.11104
Polar Surface Area	26.02
Druglikeness	-7.8535
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.44738
Molecular Complexity	0.63811
Fragments	1
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Amines	1
Aromatic Amines	1
Smiles	Nc(ccc(C(F)(F)F)c1)c1I
InChIKey	InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2
InChI	UKKWTZPXYIYONW-UHFFFAOYSA-N

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1 - 2-Iodo-4-trifluoromethyl aniline
2 - 2-Iodo-4-trifluoromethyl aniline

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2-Iodo-4-trifluoromethyl aniline