2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine

C17H18F3NO2 — CID 122631160

IUPAC2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3NO2/c1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20/h4-10H,11H2,1-3H3
InChIKeyPFTWWOLEBOIKTN-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.86
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine

2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine (PubChem CID 122631160) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
PubChem CID122631160
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
SMILESCC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H18F3NO2/c1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20/h4-10H,11H2,1-3H3
InChIKeyPFTWWOLEBOIKTN-UHFFFAOYSA-N
XLogP4.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
CID 145175023
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
5-methoxy-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 174590597
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-(2-isocyanatopropan-2-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 86709391
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine (CID 122631160) is 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine is CC(C)(C)Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
The InChIKey is PFTWWOLEBOIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-16(2,3)23-15-9-4-12(10-21-15)11-22-14-7-5-13(6-8-14)17(18,19)20/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine?
2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine has a molecular weight of 325.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 122631160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).