3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde

C13H11FO2S — CID 102670875

IUPAC3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCc2cccs2)c(F)c1
InChIInChI=1S/C13H11FO2S/c14-12-8-10(9-15)3-4-13(12)16-6-5-11-2-1-7-17-11/h1-4,7-9H,5-6H2
InChIKeyRLLFAUNJKFWSIJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.32
Rot. Bonds5

About 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde

3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde (PubChem CID 102670875) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
PubChem CID102670875
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCc2cccs2)c(F)c1
InChIInChI=1S/C13H11FO2S/c14-12-8-10(9-15)3-4-13(12)16-6-5-11-2-1-7-17-11/h1-4,7-9H,5-6H2
InChIKeyRLLFAUNJKFWSIJ-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3,5-difluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzaldehyde
CID 79476243
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
5-fluoro-2-methyl-4-(2-thiophen-2-ylethoxy)aniline
CID 114415831
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde (CID 102670875) is 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde is O=Cc1ccc(OCCc2cccs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde?
The InChIKey is RLLFAUNJKFWSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-12-8-10(9-15)3-4-13(12)16-6-5-11-2-1-7-17-11/h1-4,7-9H,5-6H2.
What are the key properties of 3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde?
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde has a molecular weight of 250.29 g/mol, XLogP of 3.32, 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-thiophen-2-ylethoxy)benzaldehyde is sourced from PubChem (CID 102670875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).