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

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

CAS No.:
2138145-69-2
Catalog Number:
AG01EINZ
Molecular Formula:
C10H11F3N2O2
Molecular Weight:
248.2017
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Product Description
Catalog Number:
AG01EINZ
Chemical Name:
1-cyclopentyl-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
2138145-69-2
Molecular Formula:
C10H11F3N2O2
Molecular Weight:
248.2017
MDL Number:
MFCD31457183
IUPAC Name:
1-cyclopentyl-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C10H13F3N2O2/c11-10(12,13)7-5-15(6-3-1-2-4-6)9(17)14-8(7)16/h6-7H,1-5H2,(H,14,16,17)
InChI Key:
CTUDJVGBQRHOJI-UHFFFAOYSA-N
SMILES:
FC(c1cn(C2CCCC2)c(=O)[nH]c1=O)(F)F
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.221g/mol
Monoisotopic Mass:
250.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties