1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid

C10H6F8O5S — CID 59850749

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C10H6F8O5S/c11-7(12,22-6-4-2-1-3-5-6)8(13,14)23-9(15,16)10(17,18)24(19,20)21/h1-5H,(H,19,20,21)
InChIKeyWGRBCXKSUWUJRJ-UHFFFAOYSA-N
MW390.20 g/mol
LogP3.34
Rot. Bonds7

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid (PubChem CID 59850749) has the molecular formula C10H6F8O5S and a molecular weight of 390.20 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid
PubChem CID59850749
Molecular FormulaC10H6F8O5S
Molecular Weight390.20 g/mol
Exact Mass389.98
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C10H6F8O5S/c11-7(12,22-6-4-2-1-3-5-6)8(13,14)23-9(15,16)10(17,18)24(19,20)21/h1-5H,(H,19,20,21)
InChIKeyWGRBCXKSUWUJRJ-UHFFFAOYSA-N
XLogP3.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
CID 154731388
1,1,2,2-tetrafluoro-2-(4-methylphenoxy)ethanesulfonic acid
CID 59724393
1,1,2,2,3,3-hexafluoro-3-phenoxypropane-1-sulfonate
CID 59344337
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
1,1,2,2-tetrafluoro-2-naphthalen-1-yloxyethanesulfonic acid
CID 59344322
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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-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
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
sulfuryl diisocyanide;trifluoromethoxybenzene
CID 162183940
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
2-[4-[bis(4-hydroxy-3,5-dimethylphenyl)-[4-(1,1,2,2-tetrafluoro-2-sulfoethoxy)phenyl]methyl]phenoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
CID 59724355

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid (CID 59850749) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Oc1ccccc1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid?
The InChIKey is WGRBCXKSUWUJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8O5S/c11-7(12,22-6-4-2-1-3-5-6)8(13,14)23-9(15,16)10(17,18)24(19,20)21/h1-5H,(H,19,20,21).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid has a molecular weight of 390.20 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-phenoxyethoxy)ethanesulfonic acid is sourced from PubChem (CID 59850749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).