2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol

C23H23F3N2O — CID 59342242

IUPAC2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C23H23F3N2O/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26/h5-14,29H,1-4H3
InChIKeyLHEHGYHEONKKGG-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.72
Rot. Bonds4

About 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol

2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (PubChem CID 59342242) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
PubChem CID59342242
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C23H23F3N2O/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26/h5-14,29H,1-4H3
InChIKeyLHEHGYHEONKKGG-UHFFFAOYSA-N
XLogP5.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
1,1,1-Trifluoro-3-(6-methylquinolin-2-yl)-2-phenylpropan-2-ol
CID 176429645
(1S,1'S)-1,1'-([2,2'-Bipyridine]-6,6'-diyl)bis(2,2-dimethylpropan-1-ol)
CID 11151607
(1R,1'R)-1,1'-([2,2'-Bipyridine]-6,6'-diyl)bis(2,2-dimethylpropan-1-ol)
CID 11198247
Di(2-pyridyl)phenylmethanol
CID 13976522
2-[(4,6-Dimethylpyridin-2-yl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
CID 10193621
(6-Fluoro-2-pyridinyl)-phenylmethanol
CID 11241129
4-(4-Fluorophenyl)-1-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]piperidin-4-ol
CID 19863544
4-(4-Fluorophenyl)-1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-ol
CID 19863565
2-[1-(2-Fluorophenyl)-6,7-dimethylisoquinolin-3-yl]butan-2-ol
CID 21074004
[Rac]-1-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-yl]-butan-1-ol
CID 21935690
(6-(4-Fluorophenyl)pyridin-2-yl)methanol
CID 23370235

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (CID 59342242) is 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is LHEHGYHEONKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-21(2,19-12-7-13-20(28-19)22(3,4)29)18-11-6-10-17(27-18)15-8-5-9-16(14-15)23(24,25)26/h5-14,29H,1-4H3.
What are the key properties of 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 400.44 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 59342242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).