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Home > Fluorides > 1779125-53-9
1779125-53-9 | tert-Butyl N-{6,6-difluorospiro[2.5]octan-1-yl}carbamate
CAS No: 1779125-53-9 Catalog No: AG01F7KG MDL No:
Product Description
Catalog Number:
AG01F7KG
Chemical Name:
tert-Butyl N-{6,6-difluorospiro[2.5]octan-1-yl}carbamate
CAS Number:
1779125-53-9
Molecular Formula:
C13H21F2NO2
Molecular Weight:
261.3081
IUPAC Name:
tert-butyl N-(6,6-difluorospiro[2.5]octan-2-yl)carbamate
InChI:
InChI=1S/C13H21F2NO2/c1-11(2,3)18-10(17)16-9-8-12(9)4-6-13(14,15)7-5-12/h9H,4-8H2,1-3H3,(H,16,17)
InChI Key:
UEGLKZAZVFMFSQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC21CCC(CC2)(F)F
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.313g/mol
Monoisotopic Mass:
261.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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