Home Other Building Blocks Methane, trifluoroiodo-

Methane, trifluoroiodo-

CAS No.:
2314-97-8
Catalog Number:
AG002MC5
Molecular Formula:
CF3I
Molecular Weight:
195.9104
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Product Description
Catalog Number:
AG002MC5
Chemical Name:
Methane, trifluoroiodo-
CAS Number:
2314-97-8
Molecular Formula:
CF3I
Molecular Weight:
195.9104
MDL Number:
MFCD00001060
IUPAC Name:
trifluoro(iodo)methane
InChI:
InChI=1S/CF3I/c2-1(3,4)5
InChI Key:
VPAYJEUHKVESSD-UHFFFAOYSA-N
SMILES:
FC(I)(F)F
EC Number:
219-014-5
UNII:
42A379KB0U
Properties
Complexity:
28.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.9g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.911g/mol
Monoisotopic Mass:
195.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Transmembrane anion transport mediated by halogen-bond donors. Nature communications 20120619
Rotational spectra and properties of complexes B···ICF3 (B = Kr or CO) and a comparison of the efficacy of ICl and ICF3 as iodine donors in halogen bond formation. The Journal of chemical physics 20111214
Photoelectron photoion coincidence imaging of ultrafast control in multichannel molecular dynamics. Faraday discussions 20110101
Activation of C-F bonds in preference to C-I bonds: difluoromethylation of lithium enolates with trifluoromethyl iodide. Angewandte Chemie (International ed. in English) 20100517
Vacuum-UV negative photoion spectroscopy of CF3Cl, CF3Br, and CF3I. The Journal of chemical physics 20090521
Halogen bonding between an isoindoline nitroxide and 1,4-diiodotetrafluorobenzene: new tools and tectons for self-assembling organic spin systems. Chemistry (Weinheim an der Bergstrasse, Germany) 20090101
Synthesis and X-ray or NMR/DFT structure elucidation of twenty-one new trifluoromethyl derivatives of soluble cage isomers of C76, C78, C84, and C90. Journal of the American Chemical Society 20081008
266 nm photolysis of CF3I and C2F5I studied by diode laser gain FM spectroscopy. Physical chemistry chemical physics : PCCP 20070614
Discovering and verifying elusive fullerene cage isomers: structures of C2-p11-(C74-D3h)(CF3)12 and C2-p11-(C(78)-D3h5)(CF3)12. Angewandte Chemie (International ed. in English) 20070101
The nature of the chemical bond in linear three-body systems: from i3- to mixed chalcogen/halogen and trichalcogen moieties. Bioinorganic chemistry and applications 20070101
Trifluoromethyl derivatives of insoluble small-HOMO-LUMO-gap hollow higher fullerenes. NMR and DFT structure elucidation of C2-(C74-D3h)(CF3)12, Cs-(C76-Td(2))(CF3)12, C2-(C78-D3h(5))(CF3)12, Cs-(C80-C2v(5))(CF3)12, and C2-(C82-C2(5))(CF3)12. Journal of the American Chemical Society 20061213
Synthesis, structure, and 19F NMR spectra of 1,3,7,10,14,17,23,28,31,40-C60(CF3)10. Journal of the American Chemical Society 20050615
Perfluoro-n-butyl iodide: acute toxicity, subchronic toxicity and genotoxicity evaluations. International journal of toxicology 20040101
Novel nucleophilic trifluoromethylation of vicinal diol cyclic sulfates. Organic letters 20021226
Nucleophilic trifluoromethylation using trifluoromethyl iodide. A new and simple alternative for the trifluoromethylation of aldehydes and ketones. Organic letters 20011227
Properties