2-Boc-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline - CAS 1257855-77-8
Catalog: |
BB006264 |
Product Name: |
2-Boc-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline |
CAS: |
1257855-77-8 |
Synonyms: |
7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CAS# 1257855-77-8 ) is a useful research chemical. |
Molecular Weight: | 301.30 |
Molecular Formula: | C15H18F3NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C15H18F3NO2/c1-14(2,3)21-13(20)19-7-6-10-4-5-12(15(16,17)18)8-11(10)9-19/h4-5,8H,6-7,9H2,1-3H3 |
InChI Key: | OIHPOPICHOVJKP-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.93650 |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.1289633 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.1289633 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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