1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite

C2HF6O3S- — CID 174475145

IUPAC1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite
SMILESFC(F)(F)C(F)(F)F.O=S([O-])O
InChIInChI=1S/C2F6.H2O3S/c3-1(4,5)2(6,7)8;1-4(2)3/h;(H2,1,2,3)/p-1
InChIKeyZTIFTRCSDKLKER-UHFFFAOYSA-M
MW219.08 g/mol
LogP1.45
Rot. Bonds

About 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite

1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite (PubChem CID 174475145) has the molecular formula C2HF6O3S- and a molecular weight of 219.08 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite.

Molecular Properties

Compound Name1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite
PubChem CID174475145
Molecular FormulaC2HF6O3S-
Molecular Weight219.08 g/mol
Exact Mass218.96
IUPAC Name1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite
SMILESFC(F)(F)C(F)(F)F.O=S([O-])O
InChIInChI=1S/C2F6.H2O3S/c3-1(4,5)2(6,7)8;1-4(2)3/h;(H2,1,2,3)/p-1
InChIKeyZTIFTRCSDKLKER-UHFFFAOYSA-M
XLogP1.45
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite?
The IUPAC name of 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite (CID 174475145) is 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite.
What is the SMILES notation for 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite?
The canonical SMILES for 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite is FC(F)(F)C(F)(F)F.O=S([O-])O.
What is the InChIKey of 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite?
The InChIKey is ZTIFTRCSDKLKER-UHFFFAOYSA-M. The full InChI is InChI=1S/C2F6.H2O3S/c3-1(4,5)2(6,7)8;1-4(2)3/h;(H2,1,2,3)/p-1.
What are the key properties of 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite?
1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite has a molecular weight of 219.08 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexafluoroethane;hydrogen sulfite is sourced from PubChem (CID 174475145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).