difluoromethyl ethyl sulfite

C3H6F2O3S — CID 87155699

IUPACdifluoromethyl ethyl sulfite
SMILESCCOS(=O)OC(F)F
InChIInChI=1S/C3H6F2O3S/c1-2-7-9(6)8-3(4)5/h3H,2H2,1H3
InChIKeyHOBBBTXEKBNUNZ-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.84
Rot. Bonds4

About difluoromethyl ethyl sulfite

difluoromethyl ethyl sulfite (PubChem CID 87155699) has the molecular formula C3H6F2O3S and a molecular weight of 160.14 g/mol. Its IUPAC name is difluoromethyl ethyl sulfite.

Molecular Properties

Compound Namedifluoromethyl ethyl sulfite
PubChem CID87155699
Molecular FormulaC3H6F2O3S
Molecular Weight160.14 g/mol
Exact Mass160.00
IUPAC Namedifluoromethyl ethyl sulfite
SMILESCCOS(=O)OC(F)F
InChIInChI=1S/C3H6F2O3S/c1-2-7-9(6)8-3(4)5/h3H,2H2,1H3
InChIKeyHOBBBTXEKBNUNZ-UHFFFAOYSA-N
XLogP0.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze difluoromethyl ethyl 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 difluoromethyl ethyl sulfite?
The IUPAC name of difluoromethyl ethyl sulfite (CID 87155699) is difluoromethyl ethyl sulfite.
What is the SMILES notation for difluoromethyl ethyl sulfite?
The canonical SMILES for difluoromethyl ethyl sulfite is CCOS(=O)OC(F)F.
What is the InChIKey of difluoromethyl ethyl sulfite?
The InChIKey is HOBBBTXEKBNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O3S/c1-2-7-9(6)8-3(4)5/h3H,2H2,1H3.
What are the key properties of difluoromethyl ethyl sulfite?
difluoromethyl ethyl sulfite has a molecular weight of 160.14 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl ethyl sulfite is sourced from PubChem (CID 87155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).