2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine

C22H19F4NO3 — CID 14500176

IUPAC2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine
SMILESFc1ccc(OCC(COCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1
InChIInChI=1S/C22H19F4NO3/c23-17-9-11-19(12-10-17)29-14-16(22(24,25)26)13-28-15-18-5-4-8-21(27-18)30-20-6-2-1-3-7-20/h1-12,16H,13-15H2
InChIKeyHURHCIBHMNBKGA-UHFFFAOYSA-N
MW421.39 g/mol
LogP5.79
Rot. Bonds9

About 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine

2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine (PubChem CID 14500176) has the molecular formula C22H19F4NO3 and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine.

Molecular Properties

Compound Name2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine
PubChem CID14500176
Molecular FormulaC22H19F4NO3
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine
SMILESFc1ccc(OCC(COCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1
InChIInChI=1S/C22H19F4NO3/c23-17-9-11-19(12-10-17)29-14-16(22(24,25)26)13-28-15-18-5-4-8-21(27-18)30-20-6-2-1-3-7-20/h1-12,16H,13-15H2
InChIKeyHURHCIBHMNBKGA-UHFFFAOYSA-N
XLogP5.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Bis(phenoxymethyl)pyridine
CID 607867
1-Methyl-2,6-bis(phenoxymethyl)pyridin-1-ium
CID 71605714
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
2-[3-(Difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
CID 166636269
2-Phenoxy-6-(3-(trifluoromethyl)phenyl)pyridin
CID 71574031
2-Phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
6-(2-Fluorophenyl)-3-phenyl-2-propoxypyridine
CID 138757062
2-Ethoxy-3,6-bis(4-fluorophenyl)pyridine
CID 138757069
N-methyl-3-phenyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211014
(S)-N,2-dimethyl-3-phenyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211018
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine?
The IUPAC name of 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine (CID 14500176) is 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine.
What is the SMILES notation for 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine?
The canonical SMILES for 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine is Fc1ccc(OCC(COCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1.
What is the InChIKey of 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine?
The InChIKey is HURHCIBHMNBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4NO3/c23-17-9-11-19(12-10-17)29-14-16(22(24,25)26)13-28-15-18-5-4-8-21(27-18)30-20-6-2-1-3-7-20/h1-12,16H,13-15H2.
What are the key properties of 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine?
2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine has a molecular weight of 421.39 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-[[3,3,3-trifluoro-2-[(4-fluorophenoxy)methyl]propoxy]methyl]pyridine is sourced from PubChem (CID 14500176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).