2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane

C9H8F2O3S — CID 115474689

IUPAC2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(CC1CO1)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2O3S/c10-8-2-1-7(3-9(8)11)15(12,13)5-6-4-14-6/h1-3,6H,4-5H2
InChIKeyFJJHKQDXCLJAHV-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.14
Rot. Bonds3

About 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane

2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane (PubChem CID 115474689) has the molecular formula C9H8F2O3S and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane
PubChem CID115474689
Molecular FormulaC9H8F2O3S
Molecular Weight234.22 g/mol
Exact Mass234.02
IUPAC Name2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(CC1CO1)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2O3S/c10-8-2-1-7(3-9(8)11)15(12,13)5-6-4-14-6/h1-3,6H,4-5H2
InChIKeyFJJHKQDXCLJAHV-UHFFFAOYSA-N
XLogP1.14
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-difluorophenyl)sulfonylethyl]-1,3-dioxane
CID 66472567
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
2-(3,4-difluorophenyl)sulfonylethanol
CID 111104635
(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
CID 130493441
5-[(3,4-difluorophenyl)sulfonylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397491
(2R,4R)-4-bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 86750318
2-fluoro-5-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid
CID 103134416
3-(oxiran-2-ylmethylsulfonyl)benzo[b][1,4]benzoxazepine
CID 167377113
[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81217308
2-(bromomethyl)-4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholine
CID 81211764
1,2-difluoro-4-(trifluoromethylsulfonyl)benzene
CID 97109516
5-[(5,5-dimethyloxolan-2-yl)methylsulfonyl]-2-fluorobenzoic acid
CID 116521920

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane (CID 115474689) is 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane is O=S(=O)(CC1CO1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane?
The InChIKey is FJJHKQDXCLJAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3S/c10-8-2-1-7(3-9(8)11)15(12,13)5-6-4-14-6/h1-3,6H,4-5H2.
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane?
2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane has a molecular weight of 234.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane is sourced from PubChem (CID 115474689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).