1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite

C4HF10O3S- — CID 174554073

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])O
InChIInChI=1S/C4F10.H2O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-4(2)3/h;(H2,1,2,3)/p-1
InChIKeySLIYOJGGTAODGK-UHFFFAOYSA-M
MW319.10 g/mol
LogP2.72
Rot. Bonds1

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite

1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite (PubChem CID 174554073) has the molecular formula C4HF10O3S- and a molecular weight of 319.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite
PubChem CID174554073
Molecular FormulaC4HF10O3S-
Molecular Weight319.10 g/mol
Exact Mass318.95
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])O
InChIInChI=1S/C4F10.H2O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-4(2)3/h;(H2,1,2,3)/p-1
InChIKeySLIYOJGGTAODGK-UHFFFAOYSA-M
XLogP2.72
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.72
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 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite (CID 174554073) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S([O-])O.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite?
The InChIKey is SLIYOJGGTAODGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4F10.H2O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-4(2)3/h;(H2,1,2,3)/p-1.
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite has a molecular weight of 319.10 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrogen sulfite is sourced from PubChem (CID 174554073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).