5-(3,4-difluorophenyl)thiophene-2-carbaldehyde

C11H6F2OS — CID 43153943

IUPAC5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H6F2OS/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKeyWITQOIJJXSONME-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.51
Rot. Bonds2

About 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde

5-(3,4-difluorophenyl)thiophene-2-carbaldehyde (PubChem CID 43153943) has the molecular formula C11H6F2OS and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
PubChem CID43153943
Molecular FormulaC11H6F2OS
Molecular Weight224.23 g/mol
Exact Mass224.01
IUPAC Name5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C11H6F2OS/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKeyWITQOIJJXSONME-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.51
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 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde (CID 43153943) is 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde?
The InChIKey is WITQOIJJXSONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2OS/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H.
What are the key properties of 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde?
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde has a molecular weight of 224.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 43153943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).