| CAS Number | 454483-93-3 |
| Catalog Number | AG019RK9(AGN-PC-0WOEXX) |
| Chemical Name | 2,2-Difluoro-2-(4-fluorophenyl)ethan-1-amine |
| IUPAC Name | 2,2-difluoro-2-(4-fluorophenyl)ethanamine |
| InChI | InChI=1S/C8H8F3N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2 |
| InChI Key | KVOPXGCKWVEEPQ-UHFFFAOYSA-N |
| MDL Number | MFCD20621125 |
| Molecular Formula | C8H8F3N |
| Molecular Weight | 175.1510 |
| SMILES | NCC(C1=CC=C(F)C=C1)(F)F |
| Synonyms | 454483-93-3,
2,2-DIFLUORO-2-(4-FLUOROPHENYL)ETHAN-1-AMINE,
2,2-difluoro-2-(4-fluoro-phenyl)-ethylamine,
SCHEMBL3746053,
ZINC95764036,
AKOS017527992,
AB76475,
2,2-difluoro-2-(4-fluorophenyl)ethylamine,
C8H8F3N,
2,2-difluoro-2-(4-fluorophenyl)ethanamine hydrochloride,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.154g/mol |
| Monoisotopic Mass | 175.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number