2-fluoro-6-thiophen-3-ylbenzaldehyde

C11H7FOS — CID 86672857

IUPAC2-fluoro-6-thiophen-3-ylbenzaldehyde
SMILESO=Cc1c(F)cccc1-c1ccsc1
InChIInChI=1S/C11H7FOS/c12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8/h1-7H
InChIKeySYHOEMXTIIFZLJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.37
Rot. Bonds2

About 2-fluoro-6-thiophen-3-ylbenzaldehyde

2-fluoro-6-thiophen-3-ylbenzaldehyde (PubChem CID 86672857) has the molecular formula C11H7FOS and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-fluoro-6-thiophen-3-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-thiophen-3-ylbenzaldehyde
PubChem CID86672857
Molecular FormulaC11H7FOS
Molecular Weight206.24 g/mol
Exact Mass206.02
IUPAC Name2-fluoro-6-thiophen-3-ylbenzaldehyde
SMILESO=Cc1c(F)cccc1-c1ccsc1
InChIInChI=1S/C11H7FOS/c12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8/h1-7H
InChIKeySYHOEMXTIIFZLJ-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-thiophen-3-ylbenzaldehyde?
The IUPAC name of 2-fluoro-6-thiophen-3-ylbenzaldehyde (CID 86672857) is 2-fluoro-6-thiophen-3-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-thiophen-3-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-thiophen-3-ylbenzaldehyde is O=Cc1c(F)cccc1-c1ccsc1.
What is the InChIKey of 2-fluoro-6-thiophen-3-ylbenzaldehyde?
The InChIKey is SYHOEMXTIIFZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FOS/c12-11-3-1-2-9(10(11)6-13)8-4-5-14-7-8/h1-7H.
What are the key properties of 2-fluoro-6-thiophen-3-ylbenzaldehyde?
2-fluoro-6-thiophen-3-ylbenzaldehyde has a molecular weight of 206.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-thiophen-3-ylbenzaldehyde is sourced from PubChem (CID 86672857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).