1-[2-Amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone - CAS 489429-73-4
Catalog: |
BB026616 |
Product Name: |
1-[2-Amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
CAS: |
489429-73-4 |
Synonyms: |
1-[2-amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone; 1-[2-amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
IUPAC Name: | 1-[2-amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
Description: | 1-[2-Amino-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone (CAS# 489429-73-4) is a useful research chemical. |
Molecular Weight: | 257.13 |
Molecular Formula: | C9H5F6NO |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C(=O)C(F)(F)F)N |
InChI: | InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-6(16)5(3-4)7(17)9(13,14)15/h1-3H,16H2 |
InChI Key: | GKGJOBCKNGVLON-UHFFFAOYSA-N |
LogP: | 3.61380 |
Publication Number | Title | Priority Date |
JP-6124012-B2 | Process for producing 1- (2-amino-substituted phenyl) -2-halo-2,2-difluoroethanone compound and 1- (substituted phenyl) -2-halo-2,2-difluoroethanone compound | 20110526 |
JP-WO2012161313-A1 | Process for producing 1- (2-amino-substituted phenyl) -2-halo-2,2-difluoroethanone compound and 1- (substituted phenyl) -2-halo-2,2-difluoroethanone compound | 20110526 |
WO-2012161313-A1 | 1-(2-amino-substituted phenyl)-2-halo-2,2-difluoroethanone compound, and method for producing 1-(substituted phenyl)-2-halo-2,2-difluoroethanone compound | 20110526 |
CN-102584801-A | One pot method asymmetric synthesis process of HIV reverse transcriptase inhibitor Efavirenz compound | 20110106 |
CN-102584801-B | One pot method asymmetric synthesis process of HIV reverse transcriptase inhibitor Efavirenz compound | 20110106 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.02753276 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.02753276 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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