2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde

C16H17FO3S — CID 15728749

IUPAC2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde
SMILESCCOC(C)OC(c1ccccc1F)c1sccc1C=O
InChIInChI=1S/C16H17FO3S/c1-3-19-11(2)20-15(13-6-4-5-7-14(13)17)16-12(10-18)8-9-21-16/h4-11,15H,3H2,1-2H3
InChIKeyYDAYBFXYIZLRNY-UHFFFAOYSA-N
MW308.37 g/mol
LogP4.19
Rot. Bonds7

About 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde

2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde (PubChem CID 15728749) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde
PubChem CID15728749
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde
SMILESCCOC(C)OC(c1ccccc1F)c1sccc1C=O
InChIInChI=1S/C16H17FO3S/c1-3-19-11(2)20-15(13-6-4-5-7-14(13)17)16-12(10-18)8-9-21-16/h4-11,15H,3H2,1-2H3
InChIKeyYDAYBFXYIZLRNY-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde?
The IUPAC name of 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde (CID 15728749) is 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde?
The canonical SMILES for 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde is CCOC(C)OC(c1ccccc1F)c1sccc1C=O.
What is the InChIKey of 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde?
The InChIKey is YDAYBFXYIZLRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-3-19-11(2)20-15(13-6-4-5-7-14(13)17)16-12(10-18)8-9-21-16/h4-11,15H,3H2,1-2H3.
What are the key properties of 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde?
2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde has a molecular weight of 308.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethoxyethoxy-(2-fluorophenyl)methyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 15728749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).