1-[4-(Trifluoromethoxy)phenyl]cyclopentanecarbonitrile - CAS 1132668-59-7
Catalog: |
BB003150 |
Product Name: |
1-[4-(Trifluoromethoxy)phenyl]cyclopentanecarbonitrile |
CAS: |
1132668-59-7 |
Synonyms: |
1-[4-(trifluoromethoxy)phenyl]-1-cyclopentanecarbonitrile; 1-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carbonitrile |
IUPAC Name: | 1-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carbonitrile |
Description: | 1-[4-(Trifluoromethoxy)phenyl]cyclopentanecarbonitrile (CAS# 1132668-59-7 ) is a useful research chemical. |
Molecular Weight: | 255.24 |
Molecular Formula: | C13H12F3NO |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC=C(C=C2)OC(F)(F)F |
InChI: | InChI=1S/C13H12F3NO/c14-13(15,16)18-11-5-3-10(4-6-11)12(9-17)7-1-2-8-12/h3-6H,1-2,7-8H2 |
InChI Key: | WGJNVBPSVRIGFA-UHFFFAOYSA-N |
LogP: | 3.92058 |
Publication Number | Title | Priority Date |
AU-2008298545-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20070914 |
AU-2008298545-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | 20070914 |
CA-2699382-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20070914 |
CA-2699382-C | Modulators of cystic fibrosis transmembrane conductance regulator | 20070914 |
EP-2201010-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20070914 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.08709849 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.08709849 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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