2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane

C10H9F3O3S — CID 21100322

IUPAC2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane
SMILESCC1(S(=O)(=O)c2ccccc2)OC1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-9(8(16-9)10(11,12)13)17(14,15)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyUYIAUCVPZBSCPO-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.14
Rot. Bonds2

About 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane

2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane (PubChem CID 21100322) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane
PubChem CID21100322
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Name2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane
SMILESCC1(S(=O)(=O)c2ccccc2)OC1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-9(8(16-9)10(11,12)13)17(14,15)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyUYIAUCVPZBSCPO-UHFFFAOYSA-N
XLogP2.14
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane (CID 21100322) is 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane is CC1(S(=O)(=O)c2ccccc2)OC1C(F)(F)F.
What is the InChIKey of 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane?
The InChIKey is UYIAUCVPZBSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3S/c1-9(8(16-9)10(11,12)13)17(14,15)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane?
2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane has a molecular weight of 266.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-methyl-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 21100322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).