4-(trifluoromethyl)oxane-4-carboxylic acid - CAS 1524761-14-5
Catalog: |
BB010788 |
Product Name: |
4-(trifluoromethyl)oxane-4-carboxylic acid |
CAS: |
1524761-14-5 |
Synonyms: |
4-(trifluoromethyl)-4-oxanecarboxylic acid; 4-(trifluoromethyl)oxane-4-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)oxane-4-carboxylic acid |
Description: | 4-(trifluoromethyl)oxane-4-carboxylic acid (CAS# 1524761-14-5) is a useful reagent in the preparation of amino acid compounds with unbranched linkers useful for the treatment of fibrosis. |
Molecular Weight: | 198.141 |
Molecular Formula: | C7H9F3O3 |
Canonical SMILES: | C1COCCC1(C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C7H9F3O3/c8-7(9,10)6(5(11)12)1-3-13-4-2-6/h1-4H2,(H,11,12) |
InChI Key: | FNUQRFOAPVWETE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): 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 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
US-2020123151-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
EP-3813818-A1 | Amino acid compounds with unbranched linkers and methods of use | 20180627 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.05037863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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