| CAS Number | 886368-58-7 |
| Catalog Number | AG00IFA1(AGN-PC-0WO68O) |
| Chemical Name | 2,2,2-trifluoro-1-(3-methylphenyl)ethan-1-amine |
| IUPAC Name | 2,2,2-trifluoro-1-(3-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H10F3N/c1-6-3-2-4-7(5-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3 |
| InChI Key | NOGCTIFPDCHTMB-UHFFFAOYSA-N |
| MDL Number | MFCD07374604 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | CC1=CC(C(N)C(F)(F)F)=CC=C1 |
| Synonyms | 2,2,2-TRIFLUORO-1-(M-TOLYL)ETHANAMINE,
886368-58-7,
2,2,2-TRIFLUORO-1-M-TOLYL-ETHYLAMINE,
MFCD07374604,
AKOS015924760,
AB39913,
AS-42233,
2,2,2-trifluoro-1-(3-methylphenyl)ethan-1-amine,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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