2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine

C16H19F2NO — CID 68570051

IUPAC2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
SMILESCCC1=CCCC(COCCc2cc(F)ccc2F)=N1
InChIInChI=1S/C16H19F2NO/c1-2-14-4-3-5-15(19-14)11-20-9-8-12-10-13(17)6-7-16(12)18/h4,6-7,10H,2-3,5,8-9,11H2,1H3
InChIKeyIOAZEKSOGARIIO-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.05
Rot. Bonds6

About 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine

2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine (PubChem CID 68570051) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
PubChem CID68570051
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
SMILESCCC1=CCCC(COCCc2cc(F)ccc2F)=N1
InChIInChI=1S/C16H19F2NO/c1-2-14-4-3-5-15(19-14)11-20-9-8-12-10-13(17)6-7-16(12)18/h4,6-7,10H,2-3,5,8-9,11H2,1H3
InChIKeyIOAZEKSOGARIIO-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine?
The IUPAC name of 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine (CID 68570051) is 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine is CCC1=CCCC(COCCc2cc(F)ccc2F)=N1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine?
The InChIKey is IOAZEKSOGARIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-2-14-4-3-5-15(19-14)11-20-9-8-12-10-13(17)6-7-16(12)18/h4,6-7,10H,2-3,5,8-9,11H2,1H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine?
2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine has a molecular weight of 279.33 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 68570051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).