tert-Butyl 6-Fluoro-1,4-diazepane-1-carboxylate - CAS 1261297-63-5
Catalog: |
BB071672 |
Product Name: |
tert-Butyl 6-Fluoro-1,4-diazepane-1-carboxylate |
CAS: |
1261297-63-5 |
Synonyms: |
tert-Butyl 6-fluoro-1,4-diazepane-1-carboxylate; 6-Fluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 6-fluoro-1,4-diazepane-1-carboxylate |
Molecular Weight: | 218.27 |
Molecular Formula: | C10H19FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC(C1)F |
InChI: | InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-12-6-8(11)7-13/h8,12H,4-7H2,1-3H3 |
InChI Key: | BAKGBADRUJJHIM-UHFFFAOYSA-N |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.14305602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.14305602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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