alpha,2-Bis(trifluoromethyl)benzyl Alcohol - CAS 945978-20-1
Catalog: |
BB041424 |
Product Name: |
alpha,2-Bis(trifluoromethyl)benzyl Alcohol |
CAS: |
945978-20-1 |
Synonyms: |
2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanol; 2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethanol |
Description: | alpha,2-Bis(trifluoromethyl)benzyl Alcohol (CAS# 945978-20-1) is a useful research chemical. |
Molecular Weight: | 244.13 |
Molecular Formula: | C9H6F6O |
Canonical SMILES: | C1=CC=C(C(=C1)C(C(F)(F)F)O)C(F)(F)F |
InChI: | InChI=1S/C9H6F6O/c10-8(11,12)6-4-2-1-3-5(6)7(16)9(13,14)15/h1-4,7,16H |
InChI Key: | BZYSZNZQTSWKFY-UHFFFAOYSA-N |
LogP: | 3.30110 |
Publication Number | Title | Priority Date |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
AU-2011215963-A1 | Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease | 20100210 |
CA-2789229-A1 | Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease | 20100210 |
EP-2533778-A1 | Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease | 20100210 |
JP-2013519673-A | Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease | 20100210 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.03228378 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.03228378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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