3-Fluoro-alpha-(methoxymethyl)-4-(trifluoromethoxy)benzylamine - CAS 1273653-26-1
Catalog: |
BB006795 |
Product Name: |
3-Fluoro-alpha-(methoxymethyl)-4-(trifluoromethoxy)benzylamine |
CAS: |
1273653-26-1 |
Synonyms: |
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine; 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine |
IUPAC Name: | 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethanamine |
Description: | 3-Fluoro-alpha-(methoxymethyl)-4-(trifluoromethoxy)benzylamine (CAS# 1273653-26-1 ) is a useful research chemical. |
Molecular Weight: | 253.19 |
Molecular Formula: | C10H11F4NO2 |
Canonical SMILES: | COCC(C1=CC(=C(C=C1)OC(F)(F)F)F)N |
InChI: | InChI=1S/C10H11F4NO2/c1-16-5-8(15)6-2-3-9(7(11)4-6)17-10(12,13)14/h2-4,8H,5,15H2,1H3 |
InChI Key: | VUBJKFPOLWXAOL-UHFFFAOYSA-N |
LogP: | 3.07080 |
Publication Number | Title | Priority Date |
JP-2017095366-A | New biarylamide derivatives | 20151118 |
EP-3026051-A1 | Heterocyclic compound | 20130724 |
TW-201427979-A | Nitrogen-containing heterocyclic compound | 20121226 |
TW-I613200-B | Nitrogen-containing heterocyclic compound | 20121226 |
AU-2013253516-A1 | Nitrogenated heterocyclic compound | 20120425 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.07259124 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.07259124 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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