2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde

C14H18FNO3 — CID 112611692

IUPAC2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCN1CCOC(COc2c(F)cccc2C=O)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3
InChIKeyXBTVXUHEPGIYPK-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.74
Rot. Bonds5

About 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde

2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde (PubChem CID 112611692) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
PubChem CID112611692
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
SMILESCCN1CCOC(COc2c(F)cccc2C=O)C1
InChIInChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3
InChIKeyXBTVXUHEPGIYPK-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-[2-(2-Hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
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1-(2-(3-(4-Benzylpiperidin-1-yl)-2-hydroxypropoxy)phenyl)ethanone
CID 16896487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde (CID 112611692) is 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde is CCN1CCOC(COc2c(F)cccc2C=O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is XBTVXUHEPGIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-16-6-7-18-12(8-16)10-19-14-11(9-17)4-3-5-13(14)15/h3-5,9,12H,2,6-8,10H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde?
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde has a molecular weight of 267.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 112611692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).