1-[2-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid - CAS 151157-52-7
Catalog: |
BB010628 |
Product Name: |
1-[2-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid |
CAS: |
151157-52-7 |
Synonyms: |
1-[2-(trifluoromethyl)phenyl]-1-cyclobutanecarboxylic acid; 1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid |
Description: | 1-[2-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid (CAS# 151157-52-7 ) is a useful research chemical. |
Molecular Weight: | 244.21 |
Molecular Formula: | C12H11F3O2 |
Canonical SMILES: | C1CC(C1)(C2=CC=CC=C2C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H11F3O2/c13-12(14,15)9-5-2-1-4-8(9)11(10(16)17)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,16,17) |
InChI Key: | FNOIJSLISHWFEK-UHFFFAOYSA-N |
LogP: | 3.21170 |
Publication Number | Title | Priority Date |
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 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.07111408 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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