Home Carboxys tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate

tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate

CAS No.:
1240621-52-6
Catalog Number:
AG019YLB
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
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Product Description
Catalog Number:
AG019YLB
Chemical Name:
tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate
CAS Number:
1240621-52-6
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
MDL Number:
MFCD16990519
IUPAC Name:
tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)14-5-4-13-7(6-14)8(11)12/h7-8,13H,4-6H2,1-3H3
InChI Key:
LAVXOMKPCHCIBF-UHFFFAOYSA-N
SMILES:
FC(C1NCCN(C1)C(=O)OC(C)(C)C)F
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.134g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.263g/mol
Monoisotopic Mass:
236.134g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties