1,1-difluoropropyl hydrogen sulfite

C3H6F2O3S — CID 87625150

IUPAC1,1-difluoropropyl hydrogen sulfite
SMILESCCC(F)(F)OS(=O)O
InChIInChI=1S/C3H6F2O3S/c1-2-3(4,5)8-9(6)7/h2H2,1H3,(H,6,7)
InChIKeyDBPIWDVRHMNUSE-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.14
Rot. Bonds3

About 1,1-difluoropropyl hydrogen sulfite

1,1-difluoropropyl hydrogen sulfite (PubChem CID 87625150) has the molecular formula C3H6F2O3S and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,1-difluoropropyl hydrogen sulfite.

Molecular Properties

Compound Name1,1-difluoropropyl hydrogen sulfite
PubChem CID87625150
Molecular FormulaC3H6F2O3S
Molecular Weight160.14 g/mol
Exact Mass160.00
IUPAC Name1,1-difluoropropyl hydrogen sulfite
SMILESCCC(F)(F)OS(=O)O
InChIInChI=1S/C3H6F2O3S/c1-2-3(4,5)8-9(6)7/h2H2,1H3,(H,6,7)
InChIKeyDBPIWDVRHMNUSE-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoropropyl hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropyl hydrogen sulfite?
The IUPAC name of 1,1-difluoropropyl hydrogen sulfite (CID 87625150) is 1,1-difluoropropyl hydrogen sulfite.
What is the SMILES notation for 1,1-difluoropropyl hydrogen sulfite?
The canonical SMILES for 1,1-difluoropropyl hydrogen sulfite is CCC(F)(F)OS(=O)O.
What is the InChIKey of 1,1-difluoropropyl hydrogen sulfite?
The InChIKey is DBPIWDVRHMNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O3S/c1-2-3(4,5)8-9(6)7/h2H2,1H3,(H,6,7).
What are the key properties of 1,1-difluoropropyl hydrogen sulfite?
1,1-difluoropropyl hydrogen sulfite has a molecular weight of 160.14 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropyl hydrogen sulfite is sourced from PubChem (CID 87625150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).