Home Other Building Blocks 1-(propan-2-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

1-(propan-2-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS No.:
2137783-72-1
Catalog Number:
AG01EIL5
Molecular Formula:
C8H9F3N2O2
Molecular Weight:
222.1645
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Product Description
Catalog Number:
AG01EIL5
Chemical Name:
1-(propan-2-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
2137783-72-1
Molecular Formula:
C8H9F3N2O2
Molecular Weight:
222.1645
MDL Number:
MFCD31434706
IUPAC Name:
1-propan-2-yl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C8H11F3N2O2/c1-4(2)13-3-5(8(9,10)11)6(14)12-7(13)15/h4-5H,3H2,1-2H3,(H,12,14,15)
InChI Key:
UXKVTOCSZJHAOS-UHFFFAOYSA-N
SMILES:
CC(n1cc(c(=O)[nH]c1=O)C(F)(F)F)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.183g/mol
Monoisotopic Mass:
224.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties