Home Fluorides 102145-82-4
102145-82-4,MFCD00173110
Catalog No.:AA0006NP
102145-82-4 | 1,1,1-Trifluoro-4-methoxypent-3-en-2-one
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1mg
3 weeks  
$214.00   $150.00
- +
5mg
3 weeks  
$231.00   $162.00
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500mg
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$245.00   $171.00
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1g
3 weeks  
$282.00   $198.00
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5g
3 weeks  
$539.00   $378.00
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10g
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$742.00   $520.00
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25g
3 weeks  
$1,461.00   $1,023.00
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50g
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$2,538.00   $1,777.00
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100g
3 weeks  
$4,634.00   $3,244.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0006NP
Chemical Name:
1,1,1-Trifluoro-4-methoxypent-3-en-2-one
CAS Number:
102145-82-4
Molecular Formula:
C6H7F3O2
Molecular Weight:
168.1138
MDL Number:
MFCD00173110
IUPAC Name:
(E)-1,1,1-trifluoro-4-methoxypent-3-en-2-one
InChI:
InChI=1S/C6H7F3O2/c1-4(11-2)3-5(10)6(7,8)9/h3H,1-2H3/b4-3+
InChI Key:
XJNIYNVIHHABIV-ONEGZZNKSA-N
SMILES:
COC(=CC(=O)C(F)(F)F)C
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
168.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.115g/mol
Monoisotopic Mass:
168.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
102145-82-4 
(3E)-1,1,1-trifluoro-4-methoxypent-3-en-2-one 
SCHEMBL2119377 
7600AC 
MFCD00173110 
SBB021669 
STK349457 
AKOS000122656 
AKOS025310062 
ZINC100074695 
NE40121 
RP10418 
1,1,1-Trifluoro-4-methoxy-3-penten-2-one 
RTR-000563 
1,1,1-Trifluoromethoxypent-3-en-2-one 
AJ-52325 
TR-000563 
ST45123186 
6G-061 
(E)-1,1,1-Trifluoro-4-methoxy-3-pentene-2-one 
J-503700 
I14-29366 
C6H7F3O2 
(E)-1,1,1-trifluoro-4-methoxypent-3-en-2-one 
ZINC02555724 
CID5709642 
3-Penten-2-one, 1,1,1-trifluoro-4-methoxy- 
(E)-1,1,1-Trifluoro-4-methoxy-3-penten-2-one 
135351-20-1 
1,1,1-trifluoro-4-methoxypent-3-en-2-one 
(3E)-4-Methoxy-1,1,1-trifluoropent-3-en-2-one 
trifluoromethoxypentenone 
AC1NWPAN 
HmTDpJDIAICICHiCLhjifhDM@ 
SCHEMBL2119375 
Literature
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