| CAS Number | 1212080-39-1 |
| Catalog Number | AG019ND0 |
| Chemical Name | 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine |
| IUPAC Name | 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine |
| InChI | InChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2 |
| InChI Key | CWLMKZQZGZWEAK-UHFFFAOYSA-N |
| MDL Number | MFCD11505553 |
| Molecular Formula | C14H21F6N |
| Molecular Weight | 317.3137 |
| SMILES | FC(C1CC(NC2CC(C(F)(F)F)CCC2)CCC1)(F)F |
| Synonyms | 3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine,
N,N-bis[3-(trifluoromethyl)cyclohexyl]amine,
1212080-39-1,
AC1Q4JTQ,
CTK7B6835,
NE24622,
EN300-40039,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.319g/mol |
| Monoisotopic Mass | 317.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
Lot Number