3,3,3-Trifluoro-4'-methoxypropiophenone - CAS 121194-35-2
Catalog: |
BB005106 |
Product Name: |
3,3,3-Trifluoro-4'-methoxypropiophenone |
CAS: |
121194-35-2 |
Synonyms: |
3,3,3-trifluoro-1-(4-methoxyphenyl)-1-propanone; 3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-one |
IUPAC Name: | 3,3,3-trifluoro-1-(4-methoxyphenyl)propan-1-one |
Description: | 3,3,3-Trifluoro-4'-methoxypropiophenone (CAS# 121194-35-2) is a useful research chemical. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H9F3O2 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)CC(F)(F)F |
InChI: | InChI=1S/C10H9F3O2/c1-15-8-4-2-7(3-5-8)9(14)6-10(11,12)13/h2-5H,6H2,1H3 |
InChI Key: | GOFCPSIUECQOSH-UHFFFAOYSA-N |
LogP: | 2.83030 |
Publication Number | Title | Priority Date |
JP-2019206494-A | Method for producing imines containing a fluoroalkyl group | 20180529 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.05546401 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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