About [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 134628152) has the molecular formula C14H10F4O
and a molecular weight of 270.23 g/mol. Its IUPAC name is [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol.
Molecular Properties
| Compound Name | [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol |
| PubChem CID | 134628152 |
| Molecular Formula | C14H10F4O |
| Molecular Weight | 270.23 g/mol |
| Exact Mass | 270.07 |
| IUPAC Name | [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol |
| SMILES | OCc1cc(-c2ccccc2C(F)(F)F)ccc1F |
| InChI | InChI=1S/C14H10F4O/c15-13-6-5-9(7-10(13)8-19)11-3-1-2-4-12(11)14(16,17)18/h1-7,19H,8H2 |
| InChIKey | JKWIGQYQLYKFRT-UHFFFAOYSA-N |
| XLogP | 4.00 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.23 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol (CID 134628152) is [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol is OCc1cc(-c2ccccc2C(F)(F)F)ccc1F.
What is the InChIKey of [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is JKWIGQYQLYKFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c15-13-6-5-9(7-10(13)8-19)11-3-1-2-4-12(11)14(16,17)18/h1-7,19H,8H2.
What are the key properties of [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol?
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 270.23 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 134628152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).