2-(Boc-amino)-4,4-difluoro-1-butanol - CAS 1662681-20-0
Catalog: |
BB012257 |
Product Name: |
2-(Boc-amino)-4,4-difluoro-1-butanol |
CAS: |
1662681-20-0 |
Synonyms: |
N-(4,4-difluoro-1-hydroxybutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(4,4-difluoro-1-hydroxybutan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4,4-difluoro-1-hydroxybutan-2-yl)carbamate |
Description: | 2-(Boc-amino)-4,4-difluoro-1-butanol (CAS# 1662681-20-0 ) is a useful research chemical. |
Molecular Weight: | 225.23 |
Molecular Formula: | C9H17F2NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC(F)F)CO |
InChI: | InChI=1S/C9H17F2NO3/c1-9(2,3)15-8(14)12-6(5-13)4-7(10)11/h6-7,13H,4-5H2,1-3H3,(H,12,14) |
InChI Key: | FIGRNQDEWAYPRM-UHFFFAOYSA-N |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.11764973 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.11764973 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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