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1221818-66-1 | 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 10,10-difluoro-, 1,1-dimethylethyl ester
CAS No: 1221818-66-1 Catalog No: AG0016WK MDL No:MFCD14581450
Product Description
Catalog Number:
AG0016WK
Chemical Name:
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 10,10-difluoro-, 1,1-dimethylethyl ester
CAS Number:
1221818-66-1
Molecular Formula:
C13H22F2N2O2
Molecular Weight:
276.3228
MDL Number:
MFCD14581450
IUPAC Name:
tert-butyl 10,10-difluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
InChI:
InChI=1S/C13H22F2N2O2/c1-11(2,3)19-10(18)17-7-5-13(14,15)12(9-17)4-6-16-8-12/h16H,4-9H2,1-3H3
InChI Key:
YJGYLCWXJRNFPU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C2(C1)CNCC2)(F)F)OC(C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.328g/mol
Monoisotopic Mass:
276.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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