alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol - CAS 446-65-1
Catalog: |
BB025688 |
Product Name: |
alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol |
CAS: |
446-65-1 |
Synonyms: |
2,2,2-trifluoro-1-(4-methylphenyl)ethanol; 2,2,2-trifluoro-1-(4-methylphenyl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(4-methylphenyl)ethanol |
Description: | alpha-(Trifluoromethyl)-4-methylbenzyl Alcohol (CAS# 446-65-1) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H9F3O |
Canonical SMILES: | CC1=CC=C(C=C1)C(C(F)(F)F)O |
InChI: | InChI=1S/C9H9F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8,13H,1H3 |
InChI Key: | LNYGOJDJKXEXDR-UHFFFAOYSA-N |
Boiling Point: | 230.8 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
LogP: | 2.59070 |
Publication Number | Title | Priority Date |
US-11034655-B1 | Compounds for inhibiting the activity of SARS-COV-2 spike glycoprotein | 20200809 |
WO-2021127328-A1 | Trpml modulators | 20191219 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2020261294-A1 | Novel apoptosis signal-regulating kinase 1 inhibitors | 20190626 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.06054939 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.06054939 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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