2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride

C5F10O4S — CID 20502261

IUPAC2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C5F10O4S/c6-1(2(7,8)18-1)3(9,10)19-4(11,12)5(13,14)20(15,16)17
InChIKeyASJSSZDJVVREIA-UHFFFAOYSA-N
MW346.10 g/mol
LogP2.37
Rot. Bonds5

About 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride

2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 20502261) has the molecular formula C5F10O4S and a molecular weight of 346.10 g/mol. Its IUPAC name is 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID20502261
Molecular FormulaC5F10O4S
Molecular Weight346.10 g/mol
Exact Mass345.94
IUPAC Name2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C5F10O4S/c6-1(2(7,8)18-1)3(9,10)19-4(11,12)5(13,14)20(15,16)17
InChIKeyASJSSZDJVVREIA-UHFFFAOYSA-N
XLogP2.37
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The IUPAC name of 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride (CID 20502261) is 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is ASJSSZDJVVREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O4S/c6-1(2(7,8)18-1)3(9,10)19-4(11,12)5(13,14)20(15,16)17.
What are the key properties of 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 346.10 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride is sourced from PubChem (CID 20502261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).