1-[3,5-Bis(trifluoromethyl)phenyl]cyclobutanecarbonitrile - CAS 1260826-36-5
Catalog: |
BB006410 |
Product Name: |
1-[3,5-Bis(trifluoromethyl)phenyl]cyclobutanecarbonitrile |
CAS: |
1260826-36-5 |
Synonyms: |
1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutanecarbonitrile; 1-[3,5-bis(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile |
Description: | 1-[3,5-Bis(trifluoromethyl)phenyl]cyclobutanecarbonitrile (CAS# 1260826-36-5 ) is a useful research chemical. |
Molecular Weight: | 293.21 |
Molecular Formula: | C13H9F6N |
Canonical SMILES: | C1CC(C1)(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C13H9F6N/c14-12(15,16)9-4-8(11(7-20)2-1-3-11)5-10(6-9)13(17,18)19/h4-6H,1-3H2 |
InChI Key: | AAINYZHIOFNWSC-UHFFFAOYSA-N |
LogP: | 4.66948 |
Publication Number | Title | Priority Date |
AU-2010359001-A1 | Novel TRPV3 modulators | 20100810 |
CA-2807538-A1 | Novel trpv3 modulators | 20100810 |
EP-2603490-A1 | Novel trpv3 modulators | 20100810 |
JP-2013538800-A | New TRPV3 modulator | 20100810 |
KR-20130097748-A | New TRP3 regulator | 20100810 |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.06391826 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.06391826 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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