chempirical

2-Iodo-5-(trifluoromethyl)aniline

C7H5F3INCAS 105202-02-6287.02 g/mol

Open in Covalent MOL file
FFFNH2I
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5F3IN
Molar mass
287.02 g/mol
Exact mass
286.9419 Da
logP
2.89Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
105202-02-6
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)I
InChIKey
KJTQOUZTJKNWGK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 3-Amino-4-iodobenzotrifluoride

Work with 2-Iodo-5-(trifluoromethyl)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-(trifluoromethyl)aniline121-50-656 % similar 2-Bromo-5-trifluoromethylaniline454-79-556 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-153 % similar 2-Chloro-4-trifluoromethylaniline39885-50-252 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-052 % similar 2-Bromo-4-trifluoromethylaniline57946-63-152 % similar 4-Chloro-3-iodobenzotrifluoride672-57-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook