1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid - CAS 151157-53-8
Catalog: |
BB010629 |
Product Name: |
1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid |
CAS: |
151157-53-8 |
Synonyms: |
1-[4-(trifluoromethoxy)phenyl]-1-cyclobutanecarboxylic acid; 1-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid |
Description: | 1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid (CAS# 151157-53-8 ) is a useful research chemical. |
Molecular Weight: | 260.21 |
Molecular Formula: | C12H11F3O3 |
Canonical SMILES: | C1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H11F3O3/c13-12(14,15)18-9-4-2-8(3-5-9)11(10(16)17)6-1-7-11/h2-5H,1,6-7H2,(H,16,17) |
InChI Key: | ZVKAMZKCLVRSDG-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
EP-3448842-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-2017305891-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
WO-2017187321-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.06602869 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.06602869 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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