2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride

C4Cl2F8O3S — CID 11360103

IUPAC2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl2F8O3S/c5-1(7,8)2(6,9)17-3(10,11)4(12,13)18(14,15)16
InChIKeyWQZTYCMAGDYRFR-UHFFFAOYSA-N
MW351.00 g/mol
LogP3.18
Rot. Bonds5

About 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride

2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 11360103) has the molecular formula C4Cl2F8O3S and a molecular weight of 351.00 g/mol. Its IUPAC name is 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID11360103
Molecular FormulaC4Cl2F8O3S
Molecular Weight351.00 g/mol
Exact Mass349.88
IUPAC Name2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl2F8O3S/c5-1(7,8)2(6,9)17-3(10,11)4(12,13)18(14,15)16
InChIKeyWQZTYCMAGDYRFR-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 14687568
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane
CID 101153179
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 20502261
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethoxy]ethanesulfonyl fluoride
CID 101047010
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 162396472
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
CID 11038354

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The IUPAC name of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride (CID 11360103) is 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is WQZTYCMAGDYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F8O3S/c5-1(7,8)2(6,9)17-3(10,11)4(12,13)18(14,15)16.
What are the key properties of 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 351.00 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride is sourced from PubChem (CID 11360103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).