2-(fluoromethylsulfonyl)benzaldehyde

C8H7FO3S — CID 84721409

IUPAC2-(fluoromethylsulfonyl)benzaldehyde
SMILESO=Cc1ccccc1S(=O)(=O)CF
InChIInChI=1S/C8H7FO3S/c9-6-13(11,12)8-4-2-1-3-7(8)5-10/h1-5H,6H2
InChIKeyVMJQWHKPGBWVMA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.20
Rot. Bonds3

About 2-(fluoromethylsulfonyl)benzaldehyde

2-(fluoromethylsulfonyl)benzaldehyde (PubChem CID 84721409) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(fluoromethylsulfonyl)benzaldehyde.

Molecular Properties

Compound Name2-(fluoromethylsulfonyl)benzaldehyde
PubChem CID84721409
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Name2-(fluoromethylsulfonyl)benzaldehyde
SMILESO=Cc1ccccc1S(=O)(=O)CF
InChIInChI=1S/C8H7FO3S/c9-6-13(11,12)8-4-2-1-3-7(8)5-10/h1-5H,6H2
InChIKeyVMJQWHKPGBWVMA-UHFFFAOYSA-N
XLogP1.20
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(fluoromethylsulfonyl)benzaldehyde?
The IUPAC name of 2-(fluoromethylsulfonyl)benzaldehyde (CID 84721409) is 2-(fluoromethylsulfonyl)benzaldehyde.
What is the SMILES notation for 2-(fluoromethylsulfonyl)benzaldehyde?
The canonical SMILES for 2-(fluoromethylsulfonyl)benzaldehyde is O=Cc1ccccc1S(=O)(=O)CF.
What is the InChIKey of 2-(fluoromethylsulfonyl)benzaldehyde?
The InChIKey is VMJQWHKPGBWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3S/c9-6-13(11,12)8-4-2-1-3-7(8)5-10/h1-5H,6H2.
What are the key properties of 2-(fluoromethylsulfonyl)benzaldehyde?
2-(fluoromethylsulfonyl)benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfonyl)benzaldehyde is sourced from PubChem (CID 84721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).