Home Other Building Blocks 4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one

4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one

CAS No.:
2357-39-3
Catalog Number:
AG01A5J6
Molecular Formula:
C7H8F3NO2
Molecular Weight:
195.1391
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Product Description
Catalog Number:
AG01A5J6
Chemical Name:
4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one
CAS Number:
2357-39-3
Molecular Formula:
C7H8F3NO2
Molecular Weight:
195.1391
MDL Number:
MFCD24842922
IUPAC Name:
4-propan-2-yl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
InChI:
InChI=1S/C7H8F3NO2/c1-3(2)4-5(12)13-6(11-4)7(8,9)10/h3,6H,1-2H3
InChI Key:
TWLWBYBADKQLEE-UHFFFAOYSA-N
SMILES:
CC(C1=NC(OC1=O)C(F)(F)F)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.141g/mol
Monoisotopic Mass:
195.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties