[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate

C12H16FNO4 — CID 122423779

IUPAC[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCCOCCF)cn1
InChIInChI=1S/C12H16FNO4/c1-10(15)18-9-11-2-3-12(8-14-11)17-7-6-16-5-4-13/h2-3,8H,4-7,9H2,1H3
InChIKeyULZGEIFVMUBDKN-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.51
Rot. Bonds8

About [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate

[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate (PubChem CID 122423779) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
PubChem CID122423779
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCCOCCF)cn1
InChIInChI=1S/C12H16FNO4/c1-10(15)18-9-11-2-3-12(8-14-11)17-7-6-16-5-4-13/h2-3,8H,4-7,9H2,1H3
InChIKeyULZGEIFVMUBDKN-UHFFFAOYSA-N
XLogP1.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
CID 66630587
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
2-[2-[2-[2-[[6-(chloromethyl)-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl N,N-ditert-butylcarbamate
CID 177055539
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate?
The IUPAC name of [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate (CID 122423779) is [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate is CC(=O)OCc1ccc(OCCOCCF)cn1.
What is the InChIKey of [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate?
The InChIKey is ULZGEIFVMUBDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-10(15)18-9-11-2-3-12(8-14-11)17-7-6-16-5-4-13/h2-3,8H,4-7,9H2,1H3.
What are the key properties of [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate?
[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate has a molecular weight of 257.26 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 122423779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).