1-[3,5-Bis(trifluoromethyl)phenyl]cyclopentanecarbonitrile - CAS 162781-04-6
Catalog: |
BB011901 |
Product Name: |
1-[3,5-Bis(trifluoromethyl)phenyl]cyclopentanecarbonitrile |
CAS: |
162781-04-6 |
Synonyms: |
1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopentanecarbonitrile; 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile |
Description: | 1-[3,5-Bis(trifluoromethyl)phenyl]cyclopentanecarbonitrile (CAS# 162781-04-6 ) is a useful research chemical. |
Molecular Weight: | 307.23 |
Molecular Formula: | C14H11F6N |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C14H11F6N/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)12(8-21)3-1-2-4-12/h5-7H,1-4H2 |
InChI Key: | JQBNBAIFGIKDCX-UHFFFAOYSA-N |
LogP: | 5.05958 |
Publication Number | Title | Priority Date |
WO-2020048830-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
AU-2014204889-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
CA-2894642-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
EP-2943495-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
EP-2943495-B1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20130108 |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.07956833 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.07956833 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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