2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride

C8H10F6O5S — CID 58201881

IUPAC2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)(F)OCC1OC1COC(F)(F)CF
InChIInChI=1S/C8H10F6O5S/c9-3-7(10,11)17-1-5-6(19-5)2-18-8(12,13)4-20(14,15)16/h5-6H,1-4H2
InChIKeyRWCKXGQFHADPKK-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.24
Rot. Bonds9

About 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride

2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride (PubChem CID 58201881) has the molecular formula C8H10F6O5S and a molecular weight of 332.22 g/mol. Its IUPAC name is 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride
PubChem CID58201881
Molecular FormulaC8H10F6O5S
Molecular Weight332.22 g/mol
Exact Mass332.02
IUPAC Name2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride
SMILESO=S(=O)(F)CC(F)(F)OCC1OC1COC(F)(F)CF
InChIInChI=1S/C8H10F6O5S/c9-3-7(10,11)17-1-5-6(19-5)2-18-8(12,13)4-20(14,15)16/h5-6H,1-4H2
InChIKeyRWCKXGQFHADPKK-UHFFFAOYSA-N
XLogP1.24
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride?
The IUPAC name of 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride (CID 58201881) is 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride?
The canonical SMILES for 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride is O=S(=O)(F)CC(F)(F)OCC1OC1COC(F)(F)CF.
What is the InChIKey of 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride?
The InChIKey is RWCKXGQFHADPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O5S/c9-3-7(10,11)17-1-5-6(19-5)2-18-8(12,13)4-20(14,15)16/h5-6H,1-4H2.
What are the key properties of 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride?
2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride has a molecular weight of 332.22 g/mol, XLogP of 1.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[[3-(1,1,2-trifluoroethoxymethyl)oxiran-2-yl]methoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 58201881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).