tert-Butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate - CAS 644970-40-1
Catalog: |
BB055449 |
Product Name: |
tert-Butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate |
CAS: |
644970-40-1 |
Synonyms: |
TERT-BUTYL 3-(TRIFLUOROMETHYL)PYRROLIDINE-1-CARBOXYLATE; 1-Pyrrolidinecarboxylic acid, 3-(trifluoromethyl)-, 1,1-dimethylethyl ester; 1-Boc-3-(Trifluoromethyl)pyrrolidine; 1,1-Dimethylethyl 3-(trifluoromethyl)-1-pyrrolidinecarboxylate |
IUPAC Name: | tert-butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate |
Molecular Weight: | 239.23 |
Molecular Formula: | C10H16NO2F3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C(F)(F)F |
InChI: | InChI=1S/C10H16F3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h7H,4-6H2,1-3H3 |
InChI Key: | RGMLHCFFVWGOJT-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.11331324 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.11331324 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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