3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane

C6H11F3O5S — CID 18924374

IUPAC3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane
SMILESCOC(F)(F)F.COCC1COS1(=O)=O
InChIInChI=1S/C4H8O4S.C2H3F3O/c1-7-2-4-3-8-9(4,5)6;1-6-2(3,4)5/h4H,2-3H2,1H3;1H3
InChIKeyRRXHVPSJFYQBAT-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.51
Rot. Bonds2

About 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane

3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane (PubChem CID 18924374) has the molecular formula C6H11F3O5S and a molecular weight of 252.21 g/mol. Its IUPAC name is 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane.

Molecular Properties

Compound Name3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane
PubChem CID18924374
Molecular FormulaC6H11F3O5S
Molecular Weight252.21 g/mol
Exact Mass252.03
IUPAC Name3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane
SMILESCOC(F)(F)F.COCC1COS1(=O)=O
InChIInChI=1S/C4H8O4S.C2H3F3O/c1-7-2-4-3-8-9(4,5)6;1-6-2(3,4)5/h4H,2-3H2,1H3;1H3
InChIKeyRRXHVPSJFYQBAT-UHFFFAOYSA-N
XLogP0.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane?
The IUPAC name of 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane (CID 18924374) is 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane.
What is the SMILES notation for 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane?
The canonical SMILES for 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane is COC(F)(F)F.COCC1COS1(=O)=O.
What is the InChIKey of 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane?
The InChIKey is RRXHVPSJFYQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S.C2H3F3O/c1-7-2-4-3-8-9(4,5)6;1-6-2(3,4)5/h4H,2-3H2,1H3;1H3.
What are the key properties of 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane?
3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane has a molecular weight of 252.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)oxathietane 2,2-dioxide;trifluoro(methoxy)methane is sourced from PubChem (CID 18924374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).