| CAS Number | 340034-55-1 |
| Catalog Number | AG00I6PV(AGN-PC-0WP1OB) |
| Chemical Name | N-(4-Cyclohexylphenyl)-2,2,2-trifluoroacetamide |
| IUPAC Name | N-(4-cyclohexylphenyl)-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C14H16F3NO/c15-14(16,17)13(19)18-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19) |
| InChI Key | YHKNNRFXCILKCK-UHFFFAOYSA-N |
| MDL Number | MFCD00755562 |
| Molecular Formula | C14H16F3NO |
| Molecular Weight | 271.2781 |
| SMILES | O=C(C(F)(F)F)Nc1ccc(cc1)C1CCCCC1 |
| Synonyms | N-(4-Cyclohexylphenyl)-2,2,2-trifluoroacetamide,
340034-55-1,
ZINC390825468,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.283g/mol |
| Monoisotopic Mass | 271.118g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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