1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol

C17H18F3NO — CID 91461917

IUPAC1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(O)C(F)(F)F)n1
InChIInChI=1S/C17H18F3NO/c1-16(2,3)14-10-12(11-7-5-4-6-8-11)9-13(21-14)15(22)17(18,19)20/h4-10,15,22H,1-3H3
InChIKeyHDYQQLVXSQYJQB-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.64
Rot. Bonds2

About 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol

1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 91461917) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID91461917
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(O)C(F)(F)F)n1
InChIInChI=1S/C17H18F3NO/c1-16(2,3)14-10-12(11-7-5-4-6-8-11)9-13(21-14)15(22)17(18,19)20/h4-10,15,22H,1-3H3
InChIKeyHDYQQLVXSQYJQB-UHFFFAOYSA-N
XLogP4.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(dipropylamino)ethanol
CID 432292
(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
Phenyl(pyridin-2-yl)methanol
CID 315585
Enpiroline
CID 3033333
Piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methanol
CID 328144
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol (CID 91461917) is 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol is CC(C)(C)c1cc(-c2ccccc2)cc(C(O)C(F)(F)F)n1.
What is the InChIKey of 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is HDYQQLVXSQYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-16(2,3)14-10-12(11-7-5-4-6-8-11)9-13(21-14)15(22)17(18,19)20/h4-10,15,22H,1-3H3.
What are the key properties of 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol?
1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 309.33 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-4-phenyl-2-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 91461917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).