2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane

C16H20FNO — CID 170747048

IUPAC2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
SMILESCC.Cc1ccc(OCc2cccc(F)n2)c(C)c1
InChIInChI=1S/C14H14FNO.C2H6/c1-10-6-7-13(11(2)8-10)17-9-12-4-3-5-14(15)16-12;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyPITXWWHVDJBEDU-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.44
Rot. Bonds3

About 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane

2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane (PubChem CID 170747048) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
PubChem CID170747048
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
SMILESCC.Cc1ccc(OCc2cccc(F)n2)c(C)c1
InChIInChI=1S/C14H14FNO.C2H6/c1-10-6-7-13(11(2)8-10)17-9-12-4-3-5-14(15)16-12;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyPITXWWHVDJBEDU-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane (CID 170747048) is 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane is CC.Cc1ccc(OCc2cccc(F)n2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane?
The InChIKey is PITXWWHVDJBEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO.C2H6/c1-10-6-7-13(11(2)8-10)17-9-12-4-3-5-14(15)16-12;1-2/h3-8H,9H2,1-2H3;1-2H3.
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane?
2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane has a molecular weight of 261.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane is sourced from PubChem (CID 170747048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).