1,1,3,3,3-pentafluoropropyl hydrogen sulfite

C3H3F5O3S — CID 87623811

IUPAC1,1,3,3,3-pentafluoropropyl hydrogen sulfite
SMILESO=S(O)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5,6)1-3(7,8)11-12(9)10/h1H2,(H,9,10)
InChIKeyXSVJKPVLIYEIGU-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.68
Rot. Bonds3

About 1,1,3,3,3-pentafluoropropyl hydrogen sulfite

1,1,3,3,3-pentafluoropropyl hydrogen sulfite (PubChem CID 87623811) has the molecular formula C3H3F5O3S and a molecular weight of 214.11 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoropropyl hydrogen sulfite.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoropropyl hydrogen sulfite
PubChem CID87623811
Molecular FormulaC3H3F5O3S
Molecular Weight214.11 g/mol
Exact Mass213.97
IUPAC Name1,1,3,3,3-pentafluoropropyl hydrogen sulfite
SMILESO=S(O)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5,6)1-3(7,8)11-12(9)10/h1H2,(H,9,10)
InChIKeyXSVJKPVLIYEIGU-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoropropyl hydrogen sulfite?
The IUPAC name of 1,1,3,3,3-pentafluoropropyl hydrogen sulfite (CID 87623811) is 1,1,3,3,3-pentafluoropropyl hydrogen sulfite.
What is the SMILES notation for 1,1,3,3,3-pentafluoropropyl hydrogen sulfite?
The canonical SMILES for 1,1,3,3,3-pentafluoropropyl hydrogen sulfite is O=S(O)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoropropyl hydrogen sulfite?
The InChIKey is XSVJKPVLIYEIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3S/c4-2(5,6)1-3(7,8)11-12(9)10/h1H2,(H,9,10).
What are the key properties of 1,1,3,3,3-pentafluoropropyl hydrogen sulfite?
1,1,3,3,3-pentafluoropropyl hydrogen sulfite has a molecular weight of 214.11 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoropropyl hydrogen sulfite is sourced from PubChem (CID 87623811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).