3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde

C12H9FO2S — CID 107689490

IUPAC3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C12H9FO2S/c13-11-5-9(6-14)1-2-12(11)15-7-10-3-4-16-8-10/h1-6,8H,7H2
InChIKeyXGOCRNSBYLLSSH-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.28
Rot. Bonds4

About 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde

3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde (PubChem CID 107689490) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
PubChem CID107689490
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C12H9FO2S/c13-11-5-9(6-14)1-2-12(11)15-7-10-3-4-16-8-10/h1-6,8H,7H2
InChIKeyXGOCRNSBYLLSSH-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.28
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

3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
4-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-fluorobenzaldehyde
CID 107689678
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
CID 107689565
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 107666373
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde (CID 107689490) is 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde is O=Cc1ccc(OCc2ccsc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde?
The InChIKey is XGOCRNSBYLLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-11-5-9(6-14)1-2-12(11)15-7-10-3-4-16-8-10/h1-6,8H,7H2.
What are the key properties of 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde?
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 107689490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).