Home Fluorides 1214031-57-8
1214031-57-8,MFCD16631753
Catalog No.:AA01AQHT
1214031-57-8 | 3-(3-FLUOROPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
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Technical Information
Catalog Number:
AA01AQHT
Chemical Name:
3-(3-FLUOROPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
CAS Number:
1214031-57-8
Molecular Formula:
C11H11FN2O2
Molecular Weight:
222.2156
MDL Number:
MFCD16631753
IUPAC Name:
3-(3-fluorophenyl)-1-methylpiperazine-2,5-dione
InChI:
InChI=1S/C11H11FN2O2/c1-14-6-9(15)13-10(11(14)16)7-3-2-4-8(12)5-7/h2-5,10H,6H2,1H3,(H,13,15)
InChI Key:
BBMWSDMTZNKTFC-UHFFFAOYSA-N
SMILES:
O=C1CN(C)C(=O)C(N1)c1cccc(c1)F
Properties
Computed Properties
 
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.219g/mol
Monoisotopic Mass:
222.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3-(3-fluorophenyl)-1-methylpiperazine-2,5-dione 
1214031-57-8 
AKOS015958140 
MCULE-7941630185 
F2147-0662 
Literature
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