bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate

C4H2F8O7S2 — CID 88542227

IUPACbis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate
SMILESO.O=S(=O)(OF)C(F)=C(F)F.O=S(=O)(OF)C(F)=C(F)F
InChIInChI=1S/2C2F4O3S.H2O/c2*3-1(4)2(5)10(7,8)9-6;/h;;1H2
InChIKeyBLNWUIVSPGMWEJ-UHFFFAOYSA-N
MW378.17 g/mol
LogP1.68
Rot. Bonds4

About bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate

bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate (PubChem CID 88542227) has the molecular formula C4H2F8O7S2 and a molecular weight of 378.17 g/mol. Its IUPAC name is bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate.

Molecular Properties

Compound Namebis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate
PubChem CID88542227
Molecular FormulaC4H2F8O7S2
Molecular Weight378.17 g/mol
Exact Mass377.91
IUPAC Namebis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate
SMILESO.O=S(=O)(OF)C(F)=C(F)F.O=S(=O)(OF)C(F)=C(F)F
InChIInChI=1S/2C2F4O3S.H2O/c2*3-1(4)2(5)10(7,8)9-6;/h;;1H2
InChIKeyBLNWUIVSPGMWEJ-UHFFFAOYSA-N
XLogP1.68
TPSA118.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate?
The IUPAC name of bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate (CID 88542227) is bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate.
What is the SMILES notation for bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate?
The canonical SMILES for bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate is O.O=S(=O)(OF)C(F)=C(F)F.O=S(=O)(OF)C(F)=C(F)F.
What is the InChIKey of bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate?
The InChIKey is BLNWUIVSPGMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2F4O3S.H2O/c2*3-1(4)2(5)10(7,8)9-6;/h;;1H2.
What are the key properties of bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate?
bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate has a molecular weight of 378.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluoro 1,2,2-trifluoroethenesulfonate);hydrate is sourced from PubChem (CID 88542227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).