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136606-95-6 | 2,5-Piperazinedione, 3-(1-fluoroethyl)-6-methyl-, [3R-[3α(R*),6α]]- (9CI)
CAS No: 136606-95-6 Catalog No: AG00125A MDL No:
Product Description
Catalog Number:
AG00125A
Chemical Name:
2,5-Piperazinedione, 3-(1-fluoroethyl)-6-methyl-, [3R-[3α(R*),6α]]- (9CI)
CAS Number:
136606-95-6
Molecular Formula:
C7H11FN2O2
Molecular Weight:
174.1728
IUPAC Name:
(3R,6S)-3-[(1R)-1-fluoroethyl]-6-methylpiperazine-2,5-dione
InChI:
InChI=1S/C7H11FN2O2/c1-3(8)5-7(12)9-4(2)6(11)10-5/h3-5H,1-2H3,(H,9,12)(H,10,11)/t3-,4+,5+/m1/s1
InChI Key:
LVVYNGAMCFIOCV-WISUUJSJSA-N
SMILES:
C[C@@H]1NC(=O)[C@@H](NC1=O)[C@H](F)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
174.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.175g/mol
Monoisotopic Mass:
174.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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