Home Carbonyls 2-(1-(tert-butoxycarbonyl)-4,4-difluoropiperidin-3-yl)aceticacid-B28075

2-(1-(tert-butoxycarbonyl)-4,4-difluoropiperidin-3-yl)aceticacid-B28075

CAS No.:
1334417-29-6
Catalog Number:
AG019G22
Molecular Formula:
C12H19F2NO4
Molecular Weight:
279.2804
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Product Description
Catalog Number:
AG019G22
Chemical Name:
2-(1-(tert-butoxycarbonyl)-4,4-difluoropiperidin-3-yl)aceticacid-B28075
CAS Number:
1334417-29-6
Molecular Formula:
C12H19F2NO4
Molecular Weight:
279.2804
MDL Number:
MFCD19686745
IUPAC Name:
2-[4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
InChI:
InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-5-4-12(13,14)8(7-15)6-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChI Key:
CDPKCMBZNPLVGZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CN(CCC1(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:
1  
Isotope Atom Count:
0
Molecular Weight:
279.284g/mol
Monoisotopic Mass:
279.128g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties