1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile - CAS 862574-87-6
Catalog: |
BB037870 |
Product Name: |
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile |
CAS: |
862574-87-6 |
Synonyms: |
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-cyclopropanecarbonitrile; 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile |
Description: | 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonitrile (CAS# 862574-87-6) is a useful research chemical. |
Molecular Weight: | 223.18 |
Molecular Formula: | C11H7F2NO2 |
Canonical SMILES: | C1CC1(C#N)C2=CC3=C(C=C2)OC(O3)(F)F |
InChI: | InChI=1S/C11H7F2NO2/c12-11(13)15-8-2-1-7(5-9(8)16-11)10(6-14)3-4-10/h1-2,5H,3-4H2 |
InChI Key: | RGKFSYDEMAFDQP-UHFFFAOYSA-N |
Appearance: | Powder |
LogP: | 2.56328 |
Publication Number | Title | Priority Date |
WO-2020102346-A1 | Methods of treatment for cystic fibrosis | 20181114 |
WO-2019191620-A1 | Crystalline forms of modulators of cftr | 20180330 |
US-2021009560-A1 | Crystalline forms of modulators of cftr | 20180330 |
TW-201938566-A | Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical composition, therapeutic method and method of manufacturing the same | 20180215 |
US-2019248809-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators | 20180215 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.04448479 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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