1,2,2,2-tetrafluoroethanesulfonate

C2HF4O3S- — CID 58734801

IUPAC1,2,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)/p-1
InChIKeyDFXIGNRYXLVEDF-UHFFFAOYSA-M
MW181.09 g/mol
LogP0.39
Rot. Bonds1

About 1,2,2,2-tetrafluoroethanesulfonate

1,2,2,2-tetrafluoroethanesulfonate (PubChem CID 58734801) has the molecular formula C2HF4O3S- and a molecular weight of 181.09 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethanesulfonate
PubChem CID58734801
Molecular FormulaC2HF4O3S-
Molecular Weight181.09 g/mol
Exact Mass180.96
IUPAC Name1,2,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)F
InChIInChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)/p-1
InChIKeyDFXIGNRYXLVEDF-UHFFFAOYSA-M
XLogP0.39
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanesulfonyl fluoride, 1,2,2,2-tetrafluoro-
CID 160613
2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
1h-Tetrafluoroethanesulfonic acid
CID 53438102
2,2,2-Trifluoroethanesulfonyl fluoride
CID 12929868
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-, sodium salt (1:1)
CID 87303205
Ethanesulfonic acid, 2,2,2-trifluoro-
CID 3014047
Hexafluoro-isopropylsulfonic acid
CID 14637647
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
2,2-Difluoroethanesulfonyl chloride
CID 50989405
2,2,3,3,3-Pentafluoropropane-1-sulfonyl chloride
CID 71758125
1,1,2,2-Tetrafluoroethanesulfonic acid fluoride
CID 19695005
2,2-Difluoroethylenesulfonyl fluoride
CID 21344874

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 1,2,2,2-tetrafluoroethanesulfonate (CID 58734801) is 1,2,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 1,2,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 1,2,2,2-tetrafluoroethanesulfonate is O=S(=O)([O-])C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethanesulfonate?
The InChIKey is DFXIGNRYXLVEDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O3S/c3-1(2(4,5)6)10(7,8)9/h1H,(H,7,8,9)/p-1.
What are the key properties of 1,2,2,2-tetrafluoroethanesulfonate?
1,2,2,2-tetrafluoroethanesulfonate has a molecular weight of 181.09 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 58734801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).