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1255667-06-1 | 1,3-Piperidinedicarboxylic acid, 5,5-difluoro-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1255667-06-1 Catalog No: AG000NVL MDL No:MFCD18433629
Product Description
Catalog Number:
AG000NVL
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5,5-difluoro-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1255667-06-1
Molecular Formula:
C12H19F2NO4
Molecular Weight:
279.2804
MDL Number:
MFCD18433629
IUPAC Name:
1-O-tert-butyl 3-O-methyl 5,5-difluoropiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(17)15-6-8(9(16)18-4)5-12(13,14)7-15/h8H,5-7H2,1-4H3
InChI Key:
MCMQSTZMIVFBRA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.128g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.284g/mol
Monoisotopic Mass:
279.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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