4,4-Difluorocyclohexaneethanamine - CAS 1054314-53-2
Catalog: |
BB001644 |
Product Name: |
4,4-Difluorocyclohexaneethanamine |
CAS: |
1054314-53-2 |
Synonyms: |
2-(4,4-difluorocyclohexyl)ethanamine; 2-(4,4-difluorocyclohexyl)ethanamine |
IUPAC Name: | 2-(4,4-difluorocyclohexyl)ethanamine |
Description: | 4,4-Difluorocyclohexaneethanamine (CAS# 1054314-53-2) is a useful research chemical. |
Molecular Weight: | 163.21 |
Molecular Formula: | C8H15F2N |
Canonical SMILES: | C1CC(CCC1CCN)(F)F |
InChI: | InChI=1S/C8H15F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-6,11H2 |
InChI Key: | GNHDMWBANSWSNL-UHFFFAOYSA-N |
LogP: | 2.86100 |
Publication Number | Title | Priority Date |
EP-3587420-B1 | Tri-cycle compound and applications thereof | 20170223 |
EP-3452045-A1 | Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds | 20160504 |
WO-2017192841-A1 | Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds | 20160504 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.11725581 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.11725581 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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