| CAS Number | 690653-23-7 |
| Catalog Number | AG01AWXG(AGN-PC-03ZSKX) |
| Chemical Name | 1-(3-FLUORO-5-(TRIFLUOROMETHYL)PHENYL)-N-METHYLMETHANAMINE |
| IUPAC Name | 1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine |
| InChI | InChI=1S/C9H9F4N/c1-14-5-6-2-7(9(11,12)13)4-8(10)3-6/h2-4,14H,5H2,1H3 |
| InChI Key | BSHXOUCKAXRBEP-UHFFFAOYSA-N |
| MDL Number | MFCD23626931 |
| Molecular Formula | C9H9F4N |
| Molecular Weight | 207.1681 |
| SMILES | FC(C1=CC(F)=CC(CNC)=C1)(F)F |
| Synonyms | 690653-23-7,
1-(3-fluoro-5-(trifluoromethyl)phenyl)-N-methylmethanamine,
{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amine,
Benzenemethanamine, 3-fluoro-N-methyl-5-(trifluoromethyl)-,
1-[3-Fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine,
SCHEMBL681409,
CTK1J1506,
DTXSID30630990,
BSHXOUCKAXRBEP-UHFFFAOYSA-N,
ZINC59782198,
AKOS022988991,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.172g/mol |
| Monoisotopic Mass | 207.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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