3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde

C11H14FNO2 — CID 61427708

IUPAC3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
SMILESCOCCN(C)c1ccc(C=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-13(5-6-15-2)11-4-3-9(8-14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeySHIPBVWZTQTXHP-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.72
Rot. Bonds5

About 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde

3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde (PubChem CID 61427708) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
PubChem CID61427708
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
SMILESCOCCN(C)c1ccc(C=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-13(5-6-15-2)11-4-3-9(8-14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeySHIPBVWZTQTXHP-UHFFFAOYSA-N
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.72
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 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde?
The IUPAC name of 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde (CID 61427708) is 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde is COCCN(C)c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde?
The InChIKey is SHIPBVWZTQTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(5-6-15-2)11-4-3-9(8-14)7-10(11)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde?
3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde has a molecular weight of 211.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 61427708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).