2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane

C10H9F3O3S — CID 106585555

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
SMILESO=S(=O)(CC1CO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c11-10(12,13)8-3-1-2-4-9(8)17(14,15)6-7-5-16-7/h1-4,7H,5-6H2
InChIKeyGNBIRYBMZRQNDF-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.88
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane

2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane (PubChem CID 106585555) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
PubChem CID106585555
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
SMILESO=S(=O)(CC1CO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c11-10(12,13)8-3-1-2-4-9(8)17(14,15)6-7-5-16-7/h1-4,7H,5-6H2
InChIKeyGNBIRYBMZRQNDF-UHFFFAOYSA-N
XLogP1.88
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.88
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-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
CID 130493433
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
CID 106585385
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
CID 69095866
1-butylsulfonyl-2-(trifluoromethyl)benzene
CID 137474022
N-[3-[2-(trifluoromethyl)phenyl]sulfonylpropyl]cyclopropanamine
CID 106584745
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
2-[1-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]cyclopropyl]acetonitrile
CID 106585514
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane (CID 106585555) is 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane is O=S(=O)(CC1CO1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane?
The InChIKey is GNBIRYBMZRQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3S/c11-10(12,13)8-3-1-2-4-9(8)17(14,15)6-7-5-16-7/h1-4,7H,5-6H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane?
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane has a molecular weight of 266.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane is sourced from PubChem (CID 106585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).