Home Fluorides 768-31-0
768-31-0,MFCD02183561
Catalog No.:AA003I8D
768-31-0 | 3-(trifluoromethyl)piperidine
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250mg
97%
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$154.00   $108.00
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Technical Information
Catalog Number:
AA003I8D
Chemical Name:
3-(trifluoromethyl)piperidine
CAS Number:
768-31-0
Molecular Formula:
C6H10F3N
Molecular Weight:
153.1455
MDL Number:
MFCD02183561
IUPAC Name:
3-(trifluoromethyl)piperidine
InChI:
InChI=1S/C6H10F3N/c7-6(8,9)5-2-1-3-10-4-5/h5,10H,1-4H2
InChI Key:
JOHFJTBDUSVGQB-UHFFFAOYSA-N
SMILES:
FC(C1CCCNC1)(F)F
Properties
Computed Properties
 
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.077g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.148g/mol
Monoisotopic Mass:
153.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(Trifluoromethyl)piperidine 
768-31-0 
AC1Q4JVQ 
3-trifluormethyl-piperidine 
SCHEMBL83862 
DTXSID20375343 
JOHFJTBDUSVGQB-UHFFFAOYSA-N 
HMS1788N21 
BBL100215 
SBB039120 
STL553787 
AKOS000122197 
DL-3-(Trifluoromethyl)piperidine 
AKOS016039050 
MCULE-3449734361 
PB24764 
BS-13184 
EN001434 
ST2404856 
TR-024586 
A9734 
CS-0055360 
FT-0676517 
3-trifluoromethylpiperidine 
EN300-02546 
Y-9721 
3S108897 
I14-29516 
Z94600127 
DL-3- PIPERIDINE 
CID2760776 
943324-08-1 
3-Trifluoromethyl-piperidine 
piperidine, 3-(trifluoromethyl)- 
3-(Trifluoromethyl)piperidine, 97% 
MFCD02183561 
(+/-)-3-(Trifluoromethyl)piperidine, 98% 
AC1MC3GB 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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