1,1,2-trifluoropropyl hydrogen sulfite

C3H5F3O3S — CID 90465517

IUPAC1,1,2-trifluoropropyl hydrogen sulfite
SMILESCC(F)C(F)(F)OS(=O)O
InChIInChI=1S/C3H5F3O3S/c1-2(4)3(5,6)9-10(7)8/h2H,1H3,(H,7,8)
InChIKeyQBFKRWGZBSQQGF-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.09
Rot. Bonds3

About 1,1,2-trifluoropropyl hydrogen sulfite

1,1,2-trifluoropropyl hydrogen sulfite (PubChem CID 90465517) has the molecular formula C3H5F3O3S and a molecular weight of 178.13 g/mol. Its IUPAC name is 1,1,2-trifluoropropyl hydrogen sulfite.

Molecular Properties

Compound Name1,1,2-trifluoropropyl hydrogen sulfite
PubChem CID90465517
Molecular FormulaC3H5F3O3S
Molecular Weight178.13 g/mol
Exact Mass177.99
IUPAC Name1,1,2-trifluoropropyl hydrogen sulfite
SMILESCC(F)C(F)(F)OS(=O)O
InChIInChI=1S/C3H5F3O3S/c1-2(4)3(5,6)9-10(7)8/h2H,1H3,(H,7,8)
InChIKeyQBFKRWGZBSQQGF-UHFFFAOYSA-N
XLogP1.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.09
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 1,1,2-trifluoropropyl hydrogen sulfite?
The IUPAC name of 1,1,2-trifluoropropyl hydrogen sulfite (CID 90465517) is 1,1,2-trifluoropropyl hydrogen sulfite.
What is the SMILES notation for 1,1,2-trifluoropropyl hydrogen sulfite?
The canonical SMILES for 1,1,2-trifluoropropyl hydrogen sulfite is CC(F)C(F)(F)OS(=O)O.
What is the InChIKey of 1,1,2-trifluoropropyl hydrogen sulfite?
The InChIKey is QBFKRWGZBSQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3S/c1-2(4)3(5,6)9-10(7)8/h2H,1H3,(H,7,8).
What are the key properties of 1,1,2-trifluoropropyl hydrogen sulfite?
1,1,2-trifluoropropyl hydrogen sulfite has a molecular weight of 178.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoropropyl hydrogen sulfite is sourced from PubChem (CID 90465517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).