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Home > Fluorides > 140647-73-0
140647-73-0 | 2,5-Piperazinedione, 3-(1,1-difluoroethyl)-
CAS No: 140647-73-0 Catalog No: AG001CN4 MDL No:
Product Description
Catalog Number:
AG001CN4
Chemical Name:
2,5-Piperazinedione, 3-(1,1-difluoroethyl)-
CAS Number:
140647-73-0
Molecular Formula:
C6H8F2N2O2
Molecular Weight:
178.1367
IUPAC Name:
3-(1,1-difluoroethyl)piperazine-2,5-dione
InChI:
InChI=1S/C6H8F2N2O2/c1-6(7,8)4-5(12)9-2-3(11)10-4/h4H,2H2,1H3,(H,9,12)(H,10,11)
InChI Key:
VKDVNQOMDVGUEX-UHFFFAOYSA-N
SMILES:
O=C1CNC(=O)C(N1)C(F)(F)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.139g/mol
Monoisotopic Mass:
178.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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