3-(2,2,2-trifluoroethylsulfonyl)oxolane

C6H9F3O3S — CID 130693991

IUPAC3-(2,2,2-trifluoroethylsulfonyl)oxolane
SMILESO=S(=O)(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C6H9F3O3S/c7-6(8,9)4-13(10,11)5-1-2-12-3-5/h5H,1-4H2
InChIKeyGRMSODNSPLOQND-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.75
Rot. Bonds2

About 3-(2,2,2-trifluoroethylsulfonyl)oxolane

3-(2,2,2-trifluoroethylsulfonyl)oxolane (PubChem CID 130693991) has the molecular formula C6H9F3O3S and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfonyl)oxolane.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfonyl)oxolane
PubChem CID130693991
Molecular FormulaC6H9F3O3S
Molecular Weight218.20 g/mol
Exact Mass218.02
IUPAC Name3-(2,2,2-trifluoroethylsulfonyl)oxolane
SMILESO=S(=O)(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C6H9F3O3S/c7-6(8,9)4-13(10,11)5-1-2-12-3-5/h5H,1-4H2
InChIKeyGRMSODNSPLOQND-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoromethanesulphonyl tetrahydrofuran
CID 129701946
Ethoxysulfolane
CID 129789412
1-(2-Ethylsulfonylethoxy)-2,2-difluoropropane
CID 122456577
2-Fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide
CID 150207333
Thiolan-2-yl trifluoromethanesulfonate
CID 150545748
1,1-Dioxo-3-(2,2,2-trifluoroethoxysulfonylsulfanyl)thiolane
CID 150861243
2-(Trifluoromethyl)-1,3-oxathiolane 3,3-dioxide
CID 157803969
3-Iodo-4-(2,2,2-trifluoroethoxy)-1lambda6-thiolane-1,1-dione
CID 114773925
3-(2,2-Difluoroethoxy)-4-iodo-1lambda6-thiolane-1,1-dione
CID 114774770
3-Iodo-4-(4,4,4-trifluorobutoxy)-1lambda6-thiolane-1,1-dione
CID 114774817
3-Iodo-4-(3,3,3-trifluoropropoxy)-1lambda6-thiolane-1,1-dione
CID 114775002
3-(Trifluoromethylsulfonylmethyl)oxolane
CID 130686536

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfonyl)oxolane?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfonyl)oxolane (CID 130693991) is 3-(2,2,2-trifluoroethylsulfonyl)oxolane.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfonyl)oxolane?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfonyl)oxolane is O=S(=O)(CC(F)(F)F)C1CCOC1.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfonyl)oxolane?
The InChIKey is GRMSODNSPLOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3S/c7-6(8,9)4-13(10,11)5-1-2-12-3-5/h5H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfonyl)oxolane?
3-(2,2,2-trifluoroethylsulfonyl)oxolane has a molecular weight of 218.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfonyl)oxolane is sourced from PubChem (CID 130693991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).