1,1-Difluoro-1-phenyl-2-propanone - CAS 29548-91-2
Catalog: |
BB020237 |
Product Name: |
1,1-Difluoro-1-phenyl-2-propanone |
CAS: |
29548-91-2 |
Synonyms: |
1,1-difluoro-1-phenyl-2-propanone; 1,1-difluoro-1-phenylpropan-2-one |
IUPAC Name: | 1,1-difluoro-1-phenylpropan-2-one |
Description: | 1,1-Difluoro-1-phenyl-2-propanone (CAS# 29548-91-2) is a useful research chemical. |
Molecular Weight: | 170.16 |
Molecular Formula: | C9H8F2O |
Canonical SMILES: | CC(=O)C(C1=CC=CC=C1)(F)F |
InChI: | InChI=1S/C9H8F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-6H,1H3 |
InChI Key: | RUSAERAHUFWKED-UHFFFAOYSA-N |
LogP: | 2.36740 |
Publication Number | Title | Priority Date |
WO-2020037109-A1 | Processes for fluorination | 20180817 |
EP-3019196-B1 | Combinations of hepatitis c virus inhibitors | 20130709 |
US-2016158200-A1 | Combinations of Hepatitis C Virus Inhibitors | 20130709 |
US-2015023913-A1 | Hepatitis C Virus Inhibitors | 20130702 |
US-2015297568-A1 | Hepatitis C Virus Inhibitors | 20130702 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0543212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0543212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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