Home Other Building Blocks 2-(1-(Boc)-3,3-Difluoro-1,2,3,6-tetrahydropyridin-4-yl)acetic acid

2-(1-(Boc)-3,3-Difluoro-1,2,3,6-tetrahydropyridin-4-yl)acetic acid

CAS No.:
1823257-61-9
Catalog Number:
AG01D8QF
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
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Product Description
Catalog Number:
AG01D8QF
Chemical Name:
2-(1-(Boc)-3,3-Difluoro-1,2,3,6-tetrahydropyridin-4-yl)acetic acid
CAS Number:
1823257-61-9
Molecular Formula:
C12H17F2NO4
Molecular Weight:
277.2645
MDL Number:
MFCD27978596
IUPAC Name:
2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-dihydropyridin-4-yl]acetic acid
InChI:
InChI=1S/C12H17F2NO4/c1-11(2,3)19-10(18)15-5-4-8(6-9(16)17)12(13,14)7-15/h4H,5-7H2,1-3H3,(H,16,17)
InChI Key:
OKSUYZSMBQHYFA-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=CCN(CC1(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.113g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.268g/mol
Monoisotopic Mass:
277.113g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties