Diethyl 2,2-difluoropentanedioate - CAS 428-97-7
Catalog: |
BB054477 |
Product Name: |
Diethyl 2,2-difluoropentanedioate |
CAS: |
428-97-7 |
Synonyms: |
2,2-difluoropentanedioic acid diethyl ester |
IUPAC Name: | diethyl 2,2-difluoropentanedioate |
Molecular Weight: | 224.20 |
Molecular Formula: | C9H14F2O4 |
Canonical SMILES: | CCOC(=O)CCC(C(=O)OCC)(F)F |
InChI: | InChI=1S/C9H14F2O4/c1-3-14-7(12)5-6-9(10,11)8(13)15-4-2/h3-6H2,1-2H3 |
InChI Key: | YVPKMLFMDHSTKJ-UHFFFAOYSA-N |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.08601525 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.08601525 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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