3-[3-(trifluoromethyl)phenyl]sulfonyloxolane

C11H11F3O3S — CID 151091108

IUPAC3-[3-(trifluoromethyl)phenyl]sulfonyloxolane
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C11H11F3O3S/c12-11(13,14)8-2-1-3-9(6-8)18(15,16)10-4-5-17-7-10/h1-3,6,10H,4-5,7H2
InChIKeyMMDMMCFCXKRCFP-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.27
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane

3-[3-(trifluoromethyl)phenyl]sulfonyloxolane (PubChem CID 151091108) has the molecular formula C11H11F3O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfonyloxolane
PubChem CID151091108
Molecular FormulaC11H11F3O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfonyloxolane
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C11H11F3O3S/c12-11(13,14)8-2-1-3-9(6-8)18(15,16)10-4-5-17-7-10/h1-3,6,10H,4-5,7H2
InChIKeyMMDMMCFCXKRCFP-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylphenyl)sulfonyloxirane
CID 71659903
1-(Difluoromethyl)-3-(methylsulfonyl)benzene
CID 154791321
1-Ethenylsulfonyl-3-(trifluoromethyl)benzene
CID 21583030
3,5-Bis(trifluoromethyl)phenylsulfonylethanol
CID 2756747
1-[(E)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190135
1-[(Z)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190136
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
1-(3-Ethoxy-1-fluoro-2-methylsulfanylpropyl)sulfonyl-4-methylbenzene
CID 134876134
3-[2-(Benzenesulfonyl)-2-fluoroethyl]oxolane
CID 134921093
(2R)-2-(2,2-difluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
CID 134928053
(2R)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-(2,2,2-trifluoroethyl)oxirane
CID 134928163
[2-[[(1S)-1-methoxypropyl]sulfanylmethyl]phenyl]-propan-2-yl-(trifluoromethylsulfonyloxy)sulfanium
CID 135033587

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane (CID 151091108) is 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane is O=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane?
The InChIKey is MMDMMCFCXKRCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3S/c12-11(13,14)8-2-1-3-9(6-8)18(15,16)10-4-5-17-7-10/h1-3,6,10H,4-5,7H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane?
3-[3-(trifluoromethyl)phenyl]sulfonyloxolane has a molecular weight of 280.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]sulfonyloxolane is sourced from PubChem (CID 151091108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).