2-(2-fluorophenyl)sulfonyl-2-methylpropanal

C10H11FO3S — CID 115037670

IUPAC2-(2-fluorophenyl)sulfonyl-2-methylpropanal
SMILESCC(C)(C=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FO3S/c1-10(2,7-12)15(13,14)9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyNFKFGIQTRIXYRU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-fluorophenyl)sulfonyl-2-methylpropanal

2-(2-fluorophenyl)sulfonyl-2-methylpropanal (PubChem CID 115037670) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-2-methylpropanal.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-2-methylpropanal
PubChem CID115037670
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name2-(2-fluorophenyl)sulfonyl-2-methylpropanal
SMILESCC(C)(C=O)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H11FO3S/c1-10(2,7-12)15(13,14)9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyNFKFGIQTRIXYRU-UHFFFAOYSA-N
XLogP1.58
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.58
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-(2-fluorophenyl)sulfonyl-2-methylpropanal?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-2-methylpropanal (CID 115037670) is 2-(2-fluorophenyl)sulfonyl-2-methylpropanal.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-2-methylpropanal?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-2-methylpropanal is CC(C)(C=O)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-2-methylpropanal?
The InChIKey is NFKFGIQTRIXYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-10(2,7-12)15(13,14)9-6-4-3-5-8(9)11/h3-7H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-2-methylpropanal?
2-(2-fluorophenyl)sulfonyl-2-methylpropanal has a molecular weight of 230.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-2-methylpropanal is sourced from PubChem (CID 115037670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).