4-(pentafluoro-lambda6-sulfanyl)benzaldehyde

C7H5F5OS — CID 2779207

IUPAC4-(pentafluoro-lambda6-sulfanyl)benzaldehyde
SMILESO=Cc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H
InChIKeyOTOYBKNIUCEPMV-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.16
Rot. Bonds2

About 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde

4-(pentafluoro-lambda6-sulfanyl)benzaldehyde (PubChem CID 2779207) has the molecular formula C7H5F5OS and a molecular weight of 232.17 g/mol. Its IUPAC name is 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde.

Molecular Properties

Compound Name4-(pentafluoro-lambda6-sulfanyl)benzaldehyde
PubChem CID2779207
Molecular FormulaC7H5F5OS
Molecular Weight232.17 g/mol
Exact Mass232.00
IUPAC Name4-(pentafluoro-lambda6-sulfanyl)benzaldehyde
SMILESO=Cc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H
InChIKeyOTOYBKNIUCEPMV-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde?
The IUPAC name of 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde (CID 2779207) is 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde.
What is the SMILES notation for 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde?
The canonical SMILES for 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde is O=Cc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde?
The InChIKey is OTOYBKNIUCEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H.
What are the key properties of 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde?
4-(pentafluoro-lambda6-sulfanyl)benzaldehyde has a molecular weight of 232.17 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde is sourced from PubChem (CID 2779207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).