N-Boc-1-fluoro-2-propylamine - CAS 1824434-31-2
Catalog: |
BB013993 |
Product Name: |
N-Boc-1-fluoro-2-propylamine |
CAS: |
1824434-31-2 |
Synonyms: |
N-(1-fluoropropan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-fluoropropan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-fluoropropan-2-yl)carbamate |
Description: | N-Boc-1-fluoro-2-propylamine (CAS# 1824434-31-2 ) is a useful research chemical. |
Molecular Weight: | 177.22 |
Molecular Formula: | C8H16FNO2 |
Canonical SMILES: | CC(CF)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C8H16FNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11) |
InChI Key: | LCYJCLXHXXANCJ-UHFFFAOYSA-N |
LogP: | 2.26000 |
Publication Number | Title | Priority Date |
WO-2013030138-A1 | Pyrrolopyrazine kinase inhibitors | 20110901 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.11650692 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.11650692 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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