2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol

C19H20F4O2 — CID 58959924

IUPAC2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
SMILESCC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3
InChIKeyFNXPSGCVWWTIFH-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol

2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol (PubChem CID 58959924) has the molecular formula C19H20F4O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
PubChem CID58959924
Molecular FormulaC19H20F4O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
SMILESCC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O
InChIInChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3
InChIKeyFNXPSGCVWWTIFH-UHFFFAOYSA-N
XLogP4.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The IUPAC name of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol (CID 58959924) is 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol is CC(C)(CC(O)(Cc1ccccc1)C(F)(F)F)c1cc(F)ccc1O.
What is the InChIKey of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
The InChIKey is FNXPSGCVWWTIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O2/c1-17(2,15-10-14(20)8-9-16(15)24)12-18(25,19(21,22)23)11-13-6-4-3-5-7-13/h3-10,24-25H,11-12H2,1-2H3.
What are the key properties of 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol?
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol has a molecular weight of 356.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol is sourced from PubChem (CID 58959924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).