4,4,4-Trifluoro-3,3-dimethylbutyric Acid - CAS 1246218-76-7
Catalog: |
BB005951 |
Product Name: |
4,4,4-Trifluoro-3,3-dimethylbutyric Acid |
CAS: |
1246218-76-7 |
Synonyms: |
4,4,4-trifluoro-3,3-dimethylbutanoic acid; 4,4,4-trifluoro-3,3-dimethylbutanoic acid |
IUPAC Name: | 4,4,4-trifluoro-3,3-dimethylbutanoic acid |
Description: | 4,4,4-Trifluoro-3,3-dimethylbutyric Acid (CAS# 1246218-76-7) is a useful research chemical. |
Molecular Weight: | 170.13 |
Molecular Formula: | C6H9F3O2 |
Canonical SMILES: | CC(C)(CC(=O)O)C(F)(F)F |
InChI: | InChI=1S/C6H9F3O2/c1-5(2,3-4(10)11)6(7,8)9/h3H2,1-2H3,(H,10,11) |
InChI Key: | RMYUXDFMYRGZNC-UHFFFAOYSA-N |
Storage: | Keep in dark place, inert atmosphere, store at room temperature. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.05546401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.05546401 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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