2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane

C15H24F3NO2 — CID 168997384

IUPAC2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane
SMILESCC.CCCCOc1cnc(C(C)(C)O)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2.C2H6/c1-4-5-6-19-9-7-10(13(14,15)16)11(17-8-9)12(2,3)18;1-2/h7-8,18H,4-6H2,1-3H3;1-2H3
InChIKeyZQCVIOLVXPCAFE-UHFFFAOYSA-N
MW307.36 g/mol
LogP4.53
Rot. Bonds5

About 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane

2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane (PubChem CID 168997384) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane.

Molecular Properties

Compound Name2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane
PubChem CID168997384
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane
SMILESCC.CCCCOc1cnc(C(C)(C)O)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2.C2H6/c1-4-5-6-19-9-7-10(13(14,15)16)11(17-8-9)12(2,3)18;1-2/h7-8,18H,4-6H2,1-3H3;1-2H3
InChIKeyZQCVIOLVXPCAFE-UHFFFAOYSA-N
XLogP4.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-butoxypyrimidin-2-yl)-2-methylpropan-1-ol;ethane
CID 168996406
1-tert-butyl-4-propoxy-2-(trifluoromethyl)benzene
CID 20605028
5-dodecoxy-2-(trifluoromethyl)phenol
CID 169297983
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
CID 43267718
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
1,3,5-tributoxybenzene
CID 15933337
2-bromo-5-butoxypyridine
CID 87199523
5-butoxypyridine-3-carboxylic acid
CID 63851154
5-butoxy-N-propylpyridin-3-amine
CID 104536219

Frequently Asked Questions

What is the IUPAC name of 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane?
The IUPAC name of 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane (CID 168997384) is 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane.
What is the SMILES notation for 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane?
The canonical SMILES for 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane is CC.CCCCOc1cnc(C(C)(C)O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane?
The InChIKey is ZQCVIOLVXPCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2.C2H6/c1-4-5-6-19-9-7-10(13(14,15)16)11(17-8-9)12(2,3)18;1-2/h7-8,18H,4-6H2,1-3H3;1-2H3.
What are the key properties of 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane?
2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane has a molecular weight of 307.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-butoxy-3-(trifluoromethyl)-2-pyridinyl]propan-2-ol;ethane is sourced from PubChem (CID 168997384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).