N-Boc-2-fluoro-1-phenylethanamine - CAS 2006278-27-7
Catalog: |
BB015609 |
Product Name: |
N-Boc-2-fluoro-1-phenylethanamine |
CAS: |
2006278-27-7 |
Synonyms: |
N-(2-fluoro-1-phenylethyl)carbamic acid tert-butyl ester; tert-butyl N-(2-fluoro-1-phenylethyl)carbamate |
IUPAC Name: | tert-butyl N-(2-fluoro-1-phenylethyl)carbamate |
Description: | N-Boc-2-fluoro-1-phenylethanamine (CAS# 2006278-27-7 ) is a useful research chemical. |
Molecular Weight: | 239.29 |
Molecular Formula: | C13H18FNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CF)C1=CC=CC=C1 |
InChI: | InChI=1S/C13H18FNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16) |
InChI Key: | URSFJYUZIMUYRH-UHFFFAOYSA-N |
LogP: | 3.61280 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.13215698 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.13215698 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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