4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione - CAS 1994-18-9
Catalog: |
BB045609 |
Product Name: |
4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione |
CAS: |
1994-18-9 |
Synonyms: |
4,4,5,5,5-pentafluoro-1-(2-thienyl)pentane-1,3-dione; 1,3-Pentanedione, 4,4,5,5,5-pentafluoro-1-(2-thienyl)- |
IUPAC Name: | 4,4,5,5,5-pentafluoro-1-thiophen-2-ylpentane-1,3-dione |
Description: | 4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione (CAS# 1994-18-9 ) is a useful research chemical. |
Molecular Weight: | 272.19 |
Molecular Formula: | C9H5F5O2S |
Canonical SMILES: | C1=CSC(=C1)C(=O)CC(=O)C(C(F)(F)F)(F)F |
InChI: | InChI=1S/C9H5F5O2S/c10-8(11,9(12,13)14)7(16)4-5(15)6-2-1-3-17-6/h1-3H,4H2 |
InChI Key: | UOXHEBGXSSPVQE-UHFFFAOYSA-N |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.99304138 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.99304138 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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