4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol

C18H20F3NO2 — CID 173105492

IUPAC4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol
SMILESCC(C)(CC(C)(O)C(F)(F)F)c1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C18H20F3NO2/c1-16(2,11-17(3,24)18(19,20)21)14-9-12(6-7-15(14)23)13-5-4-8-22-10-13/h4-10,23-24H,11H2,1-3H3
InChIKeyUTNGBPWPUBFRPE-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.44
Rot. Bonds4

About 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol

4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol (PubChem CID 173105492) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol
PubChem CID173105492
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol
SMILESCC(C)(CC(C)(O)C(F)(F)F)c1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C18H20F3NO2/c1-16(2,11-17(3,24)18(19,20)21)14-9-12(6-7-15(14)23)13-5-4-8-22-10-13/h4-10,23-24H,11H2,1-3H3
InChIKeyUTNGBPWPUBFRPE-UHFFFAOYSA-N
XLogP4.44
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol?
The IUPAC name of 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol (CID 173105492) is 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol?
The canonical SMILES for 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol is CC(C)(CC(C)(O)C(F)(F)F)c1cc(-c2cccnc2)ccc1O.
What is the InChIKey of 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol?
The InChIKey is UTNGBPWPUBFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-16(2,11-17(3,24)18(19,20)21)14-9-12(6-7-15(14)23)13-5-4-8-22-10-13/h4-10,23-24H,11H2,1-3H3.
What are the key properties of 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol?
4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol has a molecular weight of 339.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-(5,5,5-trifluoro-4-hydroxy-2,4-dimethylpentan-2-yl)phenol is sourced from PubChem (CID 173105492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).