methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

C5H3F9O4S — CID 135210232

IUPACmethyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESCOS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O4S/c1-17-19(15,16)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h1H3
InChIKeyRFNLLOPGONQENT-UHFFFAOYSA-N
MW330.12 g/mol
LogP2.32
Rot. Bonds5

About methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (PubChem CID 135210232) has the molecular formula C5H3F9O4S and a molecular weight of 330.12 g/mol. Its IUPAC name is methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Namemethyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
PubChem CID135210232
Molecular FormulaC5H3F9O4S
Molecular Weight330.12 g/mol
Exact Mass329.96
IUPAC Namemethyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESCOS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O4S/c1-17-19(15,16)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h1H3
InChIKeyRFNLLOPGONQENT-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethanesulfonate
CID 20758401
methyl 1,1,2,2-tetrafluoro-2-[(2S)-1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,2,3-hexafluoropentan-3-yloxy)propan-2-yl]oxyethanesulfonate
CID 88552384
1,1,2,2-tetrafluoro-2-[1,1,2-trifluoro-1-[1,1,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 22568757
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 165365763
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonic acid
CID 4604312
copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butane-1-sulfonic acid
CID 101454725
(2,5-dioxo-3,4-diphenylpyrrol-1-yl) 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 20734551
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)ethanesulfonic acid
CID 162679396
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethanesulfonic acid
CID 22568764

Frequently Asked Questions

What is the IUPAC name of methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The IUPAC name of methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (CID 135210232) is methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.
What is the SMILES notation for methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The canonical SMILES for methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is COS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The InChIKey is RFNLLOPGONQENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O4S/c1-17-19(15,16)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h1H3.
What are the key properties of methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate has a molecular weight of 330.12 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 135210232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).