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Home Other Building Blocks 2-(Trifluoromethyl)Oxirane

2-(Trifluoromethyl)Oxirane

CAS No.:
359-41-1
Catalog Number:
AG003AZC
Molecular Formula:
C3H3F3O
Molecular Weight:
112.0505
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
1 week
United States
$130
- +
25g
95%
1 week
United States
$313
- +
Product Description
Catalog Number:
AG003AZC
Chemical Name:
2-(Trifluoromethyl)Oxirane
CAS Number:
359-41-1
Molecular Formula:
C3H3F3O
Molecular Weight:
112.0505
MDL Number:
MFCD00041506
IUPAC Name:
2-(trifluoromethyl)oxirane
InChI:
InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChI Key:
AQZRARFZZMGLHL-UHFFFAOYSA-N
SMILES:
FC(C1OC1)(F)F
Properties
Complexity:
76.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.014g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.051g/mol
Monoisotopic Mass:
112.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Preparation of optically pure α-trifluoromethyl-α-amino acids from N-tosyl-2-trifluoromethyl-2-alkyloxycarbonyl aziridine. The Journal of organic chemistry 20111118
Weak C-H...O and C-H...F-C hydrogen bonds in the oxirane-trifluoromethane dimer. Journal of the American Chemical Society 20040317
The first generation and stereospecific alkylation of alpha-trifluoromethyl oxiranyl anion. Organic letters 20020124
Properties