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

C11H5F3OS — CID 62812029

IUPAC5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C11H5F3OS/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyABIKEBGDTTXMMM-UHFFFAOYSA-N
MW242.22 g/mol
LogP3.64
Rot. Bonds2

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

5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde (PubChem CID 62812029) has the molecular formula C11H5F3OS and a molecular weight of 242.22 g/mol. Its IUPAC name is 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
PubChem CID62812029
Molecular FormulaC11H5F3OS
Molecular Weight242.22 g/mol
Exact Mass242.00
IUPAC Name5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C11H5F3OS/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-5H
InChIKeyABIKEBGDTTXMMM-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde (CID 62812029) is 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2cc(F)c(F)c(F)c2)s1.
What is the InChIKey of 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde?
The InChIKey is ABIKEBGDTTXMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3OS/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-5H.
What are the key properties of 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde?
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde has a molecular weight of 242.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 62812029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).