2-(2-ethoxy-5-fluorophenyl)acetaldehyde

C10H11FO2 — CID 83876013

IUPAC2-(2-ethoxy-5-fluorophenyl)acetaldehyde
SMILESCCOc1ccc(F)cc1CC=O
InChIInChI=1S/C10H11FO2/c1-2-13-10-4-3-9(11)7-8(10)5-6-12/h3-4,6-7H,2,5H2,1H3
InChIKeyOQWAWQPDGLBYFW-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-ethoxy-5-fluorophenyl)acetaldehyde

2-(2-ethoxy-5-fluorophenyl)acetaldehyde (PubChem CID 83876013) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluorophenyl)acetaldehyde
PubChem CID83876013
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-(2-ethoxy-5-fluorophenyl)acetaldehyde
SMILESCCOc1ccc(F)cc1CC=O
InChIInChI=1S/C10H11FO2/c1-2-13-10-4-3-9(11)7-8(10)5-6-12/h3-4,6-7H,2,5H2,1H3
InChIKeyOQWAWQPDGLBYFW-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
CID 83880628
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-[5-fluoro-2-(methoxymethyl)phenyl]acetaldehyde
CID 83876007
3-(2-ethoxy-5-fluorophenyl)prop-2-enal
CID 169459314
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-[2-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-5-fluorophenyl]acetaldehyde
CID 170089604
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-(5-fluoro-2-sulfanylphenyl)acetaldehyde
CID 87632015
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
3-[(2,5-difluorophenyl)sulfinylmethyl]-4-ethoxyaniline
CID 61288253

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluorophenyl)acetaldehyde?
The IUPAC name of 2-(2-ethoxy-5-fluorophenyl)acetaldehyde (CID 83876013) is 2-(2-ethoxy-5-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-ethoxy-5-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-(2-ethoxy-5-fluorophenyl)acetaldehyde is CCOc1ccc(F)cc1CC=O.
What is the InChIKey of 2-(2-ethoxy-5-fluorophenyl)acetaldehyde?
The InChIKey is OQWAWQPDGLBYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-13-10-4-3-9(11)7-8(10)5-6-12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-(2-ethoxy-5-fluorophenyl)acetaldehyde?
2-(2-ethoxy-5-fluorophenyl)acetaldehyde has a molecular weight of 182.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluorophenyl)acetaldehyde is sourced from PubChem (CID 83876013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).