(2E)-3-(Dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one - CAS 511244-84-1
Catalog: |
BB067415 |
Product Name: |
(2E)-3-(Dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
CAS: |
511244-84-1 |
Synonyms: |
(2E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one; 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]-2-propen-1-one; (e)-3-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one; (E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one; 3-(Dimethylamino)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one; 2-Propen-1-one, 3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]- |
IUPAC Name: | (E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
Description: | (2E)-3-(Dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
Molecular Weight: | 243.22 |
Molecular Formula: | C12H12F3NO |
Canonical SMILES: | CN(C)C=CC(=O)C1=CC(=CC=C1)C(F)(F)F |
InChI: | InChI=1S/C12H12F3NO/c1-16(2)7-6-11(17)9-4-3-5-10(8-9)12(13,14)15/h3-8H,1-2H3/b7-6+ |
InChI Key: | WWXXUJAADIZIRL-VOTSOKGWSA-N |
Solubility: | >36.5 ug/ml |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 243.08709849 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.08709849 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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