2-fluoro-4-thiophen-2-ylbenzaldehyde

C11H7FOS — CID 16768608

IUPAC2-fluoro-4-thiophen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cccs2)cc1F
InChIInChI=1S/C11H7FOS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-7H
InChIKeyZKCVFPQLILCRNG-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.37
Rot. Bonds2

About 2-fluoro-4-thiophen-2-ylbenzaldehyde

2-fluoro-4-thiophen-2-ylbenzaldehyde (PubChem CID 16768608) has the molecular formula C11H7FOS and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-fluoro-4-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-thiophen-2-ylbenzaldehyde
PubChem CID16768608
Molecular FormulaC11H7FOS
Molecular Weight206.24 g/mol
Exact Mass206.02
IUPAC Name2-fluoro-4-thiophen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cccs2)cc1F
InChIInChI=1S/C11H7FOS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-7H
InChIKeyZKCVFPQLILCRNG-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-4-thiophen-2-ylbenzaldehyde?
The IUPAC name of 2-fluoro-4-thiophen-2-ylbenzaldehyde (CID 16768608) is 2-fluoro-4-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-4-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-4-thiophen-2-ylbenzaldehyde is O=Cc1ccc(-c2cccs2)cc1F.
What is the InChIKey of 2-fluoro-4-thiophen-2-ylbenzaldehyde?
The InChIKey is ZKCVFPQLILCRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FOS/c12-10-6-8(3-4-9(10)7-13)11-2-1-5-14-11/h1-7H.
What are the key properties of 2-fluoro-4-thiophen-2-ylbenzaldehyde?
2-fluoro-4-thiophen-2-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-4-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 16768608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).