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1000313-01-8,MFCD22121409
Catalog No.:AA00008R
1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester | 1000313-01-8
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Purity
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250mg
95.0%
1 week  
$80.00
- +
500mg
95.0%
1 week  
$120.00
- +
1g
95.0%
1 week  
$166.00
- +
2.5g
95.0%
1 week  
$299.00
- +
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Technical Information
Catalog Number:
AA00008R
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000313-01-8
Molecular Formula:
C10H14F2NO4-
Molecular Weight:
250.2193
MDL Number:
MFCD22121409
IUPAC Name:
4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChI Key:
WTMZYKCXBXPVPT-UHFFFAOYSA-N
SMILES:
O=C(N1CC(CC1C(=O)[O-])(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.097g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.23g/mol
Monoisotopic Mass:
251.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
1000313-01-8 
1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid 
MCULE-6588530230 
NE43037 
TRA0003089 
VZ33175 
AK-76436 
AS-42537 
4CH-024382 
FT-0685605 
F1907-0012 
1-(t-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid 
1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid 
1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-caboxylic acid 
1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2carboxylic acid 
4,4-difluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 
(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid 
N-BOC-4,4-DIFLUORO-L-PROLINE 
203866-15-3 
(S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid 
536747-87-2 
(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 
(R)-1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLIC ACID 
ACMC-20ahzr 
SCHEMBL193268 
CTK8H5160 
WTMZYKCXBXPVPT-UHFFFAOYSA-N 
HT1190 
MFCD22121409 
AKOS023091055 
Literature
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