3-(trifluoromethylsulfonylmethyl)oxolane

C6H9F3O3S — CID 130686536

IUPAC3-(trifluoromethylsulfonylmethyl)oxolane
SMILESO=S(=O)(CC1CCOC1)C(F)(F)F
InChIInChI=1S/C6H9F3O3S/c7-6(8,9)13(10,11)4-5-1-2-12-3-5/h5H,1-4H2
InChIKeyUUTOYXNKROEPAF-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.96
Rot. Bonds2

About 3-(trifluoromethylsulfonylmethyl)oxolane

3-(trifluoromethylsulfonylmethyl)oxolane (PubChem CID 130686536) has the molecular formula C6H9F3O3S and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylmethyl)oxolane
PubChem CID130686536
Molecular FormulaC6H9F3O3S
Molecular Weight218.20 g/mol
Exact Mass218.02
IUPAC Name3-(trifluoromethylsulfonylmethyl)oxolane
SMILESO=S(=O)(CC1CCOC1)C(F)(F)F
InChIInChI=1S/C6H9F3O3S/c7-6(8,9)13(10,11)4-5-1-2-12-3-5/h5H,1-4H2
InChIKeyUUTOYXNKROEPAF-UHFFFAOYSA-N
XLogP0.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoromethanesulphonyl tetrahydrofuran
CID 129701946
3-(2,2,2-Trifluoroethylsulfonyl)oxolane
CID 130693991
3-(2,2-Difluoroethylsulfonyl)oxolane
CID 131153652
(3-Fluorooxolan-3-yl)methanesulfonyl fluoride
CID 165904194
Difluoromethyl-imino-oxo-(tetrahydrofuran-3-ylmethyl)-sulfane
CID 177787764
3-(Methylsulfonylmethyl)oxolane
CID 126717824
3-(Ethoxymethyl)thiolane 1,1-dioxide
CID 156869117
(3R,4S)-3-methyl-4-(methylsulfonylmethyl)oxolane
CID 21573960
(3S,4S)-3-methyl-4-(methylsulfonylmethyl)oxolane
CID 21573961
3-(Ethylsulfonylmethyl)oxolane
CID 130653595

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylmethyl)oxolane?
The IUPAC name of 3-(trifluoromethylsulfonylmethyl)oxolane (CID 130686536) is 3-(trifluoromethylsulfonylmethyl)oxolane.
What is the SMILES notation for 3-(trifluoromethylsulfonylmethyl)oxolane?
The canonical SMILES for 3-(trifluoromethylsulfonylmethyl)oxolane is O=S(=O)(CC1CCOC1)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylmethyl)oxolane?
The InChIKey is UUTOYXNKROEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3S/c7-6(8,9)13(10,11)4-5-1-2-12-3-5/h5H,1-4H2.
What are the key properties of 3-(trifluoromethylsulfonylmethyl)oxolane?
3-(trifluoromethylsulfonylmethyl)oxolane has a molecular weight of 218.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylmethyl)oxolane is sourced from PubChem (CID 130686536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).