1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride

C4HF9O3S — CID 15948883

IUPAC1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H
InChIKeyPOZNIVAWKKIAHQ-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.35
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride (PubChem CID 15948883) has the molecular formula C4HF9O3S and a molecular weight of 300.10 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride
PubChem CID15948883
Molecular FormulaC4HF9O3S
Molecular Weight300.10 g/mol
Exact Mass299.95
IUPAC Name1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H
InChIKeyPOZNIVAWKKIAHQ-UHFFFAOYSA-N
XLogP2.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonic acid
CID 87285272
CID 102523763
CID 102523763
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
CID 18671047
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
(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane
CID 99717314
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
2-methyl-2-(1,2,2,2-tetrafluoroethoxy)propane
CID 161271475
1,1,2,2-tetrafluoro-2-(1,1,2,2,3-pentafluoropropoxy)ethanesulfonyl fluoride
CID 158210089
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,2,3,3-pentafluoropropane-1,3-disulfonyl fluoride
CID 154980162
potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 141152926

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride (CID 15948883) is 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride?
The InChIKey is POZNIVAWKKIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S/c5-1(2(6,7)8)16-3(9,10)4(11,12)17(13,14)15/h1H.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride has a molecular weight of 300.10 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 15948883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).