Ethyl 2,2-Difluoro-3-hydroxypropionate - CAS 380-41-6
Catalog: |
BB023502 |
Product Name: |
Ethyl 2,2-Difluoro-3-hydroxypropionate |
CAS: |
380-41-6 |
Synonyms: |
2,2-difluoro-3-hydroxypropanoic acid ethyl ester; ethyl 2,2-difluoro-3-hydroxypropanoate |
IUPAC Name: | ethyl 2,2-difluoro-3-hydroxypropanoate |
Description: | Ethyl 2,2-Difluoro-3-hydroxypropionate (CAS# 380-41-6 ) is a useful research chemical. |
Molecular Weight: | 154.11 |
Molecular Formula: | C5H8F2O3 |
Canonical SMILES: | CCOC(=O)C(CO)(F)F |
InChI: | InChI=1S/C5H8F2O3/c1-2-10-4(9)5(6,7)3-8/h8H,2-3H2,1H3 |
InChI Key: | HHDADYBESRVMSN-UHFFFAOYSA-N |
LogP: | 0.17710 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020087202-A1 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor | 20181029 |
WO-2020092102-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
EP-3873467-A2 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20181029 |
TW-202000659-A | Piperidinyl-3-(aryloxy)propanamides and propanoates | 20180301 |
US-2020061041-A1 | Piperidinyl-3-(aryloxy)propanamides and propanoates | 20180301 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04415044 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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