5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine

C15H22F3NO2 — CID 144787153

IUPAC5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)c(OCCOC(C)(C)C)cn1
InChIInChI=1S/C15H22F3NO2/c1-10(2)12-8-11(15(16,17)18)13(9-19-12)20-6-7-21-14(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyFKMIRPDFDBVQLK-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.42
Rot. Bonds5

About 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 144787153) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID144787153
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)c(OCCOC(C)(C)C)cn1
InChIInChI=1S/C15H22F3NO2/c1-10(2)12-8-11(15(16,17)18)13(9-19-12)20-6-7-21-14(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyFKMIRPDFDBVQLK-UHFFFAOYSA-N
XLogP4.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
CID 144787128
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
CID 115942949
5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)pyridine
CID 121389108
5-(3,3-dimethylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 139545732
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112587564
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzaldehyde
CID 115942150
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
2-methyl-N-[[6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115942783
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
3-(difluoromethyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587044
5-(difluoromethoxy)-4-ethyl-2-propan-2-ylpyridine
CID 137409390

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 144787153) is 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cc(C(F)(F)F)c(OCCOC(C)(C)C)cn1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is FKMIRPDFDBVQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-10(2)12-8-11(15(16,17)18)13(9-19-12)20-6-7-21-14(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine?
5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 305.34 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 144787153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).