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1447942-88-2 | Spiro[2.5]octane-1-carboxylic acid, 6,6-difluoro-, ethyl ester
CAS No: 1447942-88-2 Catalog No: AG001K6I MDL No:
Product Description
Catalog Number:
AG001K6I
Chemical Name:
Spiro[2.5]octane-1-carboxylic acid, 6,6-difluoro-, ethyl ester
CAS Number:
1447942-88-2
Molecular Formula:
C11H16F2O2
Molecular Weight:
218.2403
IUPAC Name:
ethyl 6,6-difluorospiro[2.5]octane-2-carboxylate
InChI:
InChI=1S/C11H16F2O2/c1-2-15-9(14)8-7-10(8)3-5-11(12,13)6-4-10/h8H,2-7H2,1H3
InChI Key:
ZKUILEVFEBZJLG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC21CCC(CC2)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.244g/mol
Monoisotopic Mass:
218.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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