2-(Boc-amino)-4,4,4-trifluoro-1-butanol - CAS 454170-50-4
Catalog: |
BB025855 |
Product Name: |
2-(Boc-amino)-4,4,4-trifluoro-1-butanol |
CAS: |
454170-50-4 |
Synonyms: |
N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate |
Description: | 2-(Boc-amino)-4,4,4-trifluoro-1-butanol (CAS# 454170-50-4 ) is a useful research chemical. |
Molecular Weight: | 243.22 |
Molecular Formula: | C9H16F3NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC(F)(F)F)CO |
InChI: | InChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13-6(5-14)4-9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15) |
InChI Key: | YQODVUUZNPHLQT-UHFFFAOYSA-N |
LogP: | 2.21530 |
Publication Number | Title | Priority Date |
CA-2937529-A1 | Aryl lactam kinase inhibitors | 20140129 |
EA-028587-B1 | Aryl lactam kinase inhibitors | 20140129 |
EP-3099300-A1 | Aryl lactam kinase inhibitors | 20140129 |
EP-3099300-B1 | Aryl lactam kinase inhibitors | 20140129 |
JP-2017504630-A | Aryl lactam kinase inhibitor | 20140129 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.10822786 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.10822786 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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