2-Methyl-alpha-(trifluoromethyl)benzyl Alcohol - CAS 438-24-4
Catalog: |
BB025468 |
Product Name: |
2-Methyl-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
438-24-4 |
Synonyms: |
2,2,2-trifluoro-1-(2-methylphenyl)ethanol; 2,2,2-trifluoro-1-(2-methylphenyl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(2-methylphenyl)ethanol |
Description: | 2-Methyl-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 438-24-4) is a metabolite of benz[a]anthracene (B183560). |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H9F3O |
Canonical SMILES: | CC1=CC=CC=C1C(C(F)(F)F)O |
InChI: | InChI=1S/C9H9F3O/c1-6-4-2-3-5-7(6)8(13)9(10,11)12/h2-5,8,13H,1H3 |
InChI Key: | SXMWJABIUDHACE-UHFFFAOYSA-N |
LogP: | 2.59070 |
Publication Number | Title | Priority Date |
WO-2021011834-A1 | Alk5 inhibitors, conjugates, and uses thereof | 20190716 |
WO-2020163673-A1 | Inhibitors of adenylate-forming enzyme mene | 20190207 |
JP-2014091691-A | Process for producing trifluoromethyl group-containing compound | 20121102 |
JP-5991899-B2 | Process for producing trifluoromethyl group-containing compound | 20121102 |
US-2013137635-A1 | Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease | 20100210 |
Complexity: | 167 |
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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