2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde

C13H16FNO2 — CID 43562829

IUPAC2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCCC1CN(c2ccc(F)cc2C=O)CCO1
InChIInChI=1S/C13H16FNO2/c1-2-12-8-15(5-6-17-12)13-4-3-11(14)7-10(13)9-16/h3-4,7,9,12H,2,5-6,8H2,1H3
InChIKeyUOJBWPOJFACRNF-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde

2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde (PubChem CID 43562829) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
PubChem CID43562829
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
SMILESCCC1CN(c2ccc(F)cc2C=O)CCO1
InChIInChI=1S/C13H16FNO2/c1-2-12-8-15(5-6-17-12)13-4-3-11(14)7-10(13)9-16/h3-4,7,9,12H,2,5-6,8H2,1H3
InChIKeyUOJBWPOJFACRNF-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde (CID 43562829) is 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde is CCC1CN(c2ccc(F)cc2C=O)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde?
The InChIKey is UOJBWPOJFACRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-12-8-15(5-6-17-12)13-4-3-11(14)7-10(13)9-16/h3-4,7,9,12H,2,5-6,8H2,1H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde?
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde has a molecular weight of 237.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde is sourced from PubChem (CID 43562829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).