1-(3,4-Difluorophenyl)cyclobutanecarboxylic Acid - CAS 633317-58-5
Catalog: |
BB032101 |
Product Name: |
1-(3,4-Difluorophenyl)cyclobutanecarboxylic Acid |
CAS: |
633317-58-5 |
Synonyms: |
1-(3,4-difluorophenyl)-1-cyclobutanecarboxylic acid; 1-(3,4-difluorophenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(3,4-difluorophenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(3,4-Difluorophenyl)cyclobutanecarboxylic Acid (CAS# 633317-58-5 ) is a useful research chemical. |
Molecular Weight: | 212.19 |
Molecular Formula: | C11H10F2O2 |
Canonical SMILES: | C1CC(C1)(C2=CC(=C(C=C2)F)F)C(=O)O |
InChI: | InChI=1S/C11H10F2O2/c12-8-3-2-7(6-9(8)13)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15) |
InChI Key: | WTMPBGKYNWHYRN-UHFFFAOYSA-N |
LogP: | 2.47110 |
Publication Number | Title | Priority Date |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
JP-2019514840-A | Modulator 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: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.06488588 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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