3-[difluoro(methyl)silyl]propyl methyl sulfite

C5H12F2O3SSi — CID 174136136

IUPAC3-[difluoro(methyl)silyl]propyl methyl sulfite
SMILESCOS(=O)OCCC[Si](C)(F)F
InChIInChI=1S/C5H12F2O3SSi/c1-9-11(8)10-4-3-5-12(2,6)7/h3-5H2,1-2H3
InChIKeyLPNYOPOVBHAQEI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.63
Rot. Bonds6

About 3-[difluoro(methyl)silyl]propyl methyl sulfite

3-[difluoro(methyl)silyl]propyl methyl sulfite (PubChem CID 174136136) has the molecular formula C5H12F2O3SSi and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propyl methyl sulfite.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propyl methyl sulfite
PubChem CID174136136
Molecular FormulaC5H12F2O3SSi
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name3-[difluoro(methyl)silyl]propyl methyl sulfite
SMILESCOS(=O)OCCC[Si](C)(F)F
InChIInChI=1S/C5H12F2O3SSi/c1-9-11(8)10-4-3-5-12(2,6)7/h3-5H2,1-2H3
InChIKeyLPNYOPOVBHAQEI-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

difluoro-[3-(2-methoxyethoxy)propyl]-methylsilane
CID 140681153
3-[difluoro(methyl)silyl]propyl dimethyl borate
CID 174136149
3-trimethylsilylpropyl hydrogen sulfite
CID 57052636
pentadecyl pentyl sulfite
CID 6421054
methyl prop-2-enyl sulfite
CID 22451027
pentyl undecyl sulfite
CID 6421050
3-[difluoro(methyl)silyl]propyl benzoate
CID 174136195
difluoro-methyl-(3-methylsulfonylpropyl)silane
CID 153445078
methyl methanesulfinate;methyl (4-methyl-4-nitropentyl) sulfite;4-methyl-4-nitropentan-1-ol
CID 91093403
methyl 2-[difluoro(methyl)silyl]ethanesulfonate
CID 174136199
bis(4-hydroxypentyl) sulfite
CID 155124795
butyl sulfino sulfite
CID 152733592

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propyl methyl sulfite?
The IUPAC name of 3-[difluoro(methyl)silyl]propyl methyl sulfite (CID 174136136) is 3-[difluoro(methyl)silyl]propyl methyl sulfite.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propyl methyl sulfite?
The canonical SMILES for 3-[difluoro(methyl)silyl]propyl methyl sulfite is COS(=O)OCCC[Si](C)(F)F.
What is the InChIKey of 3-[difluoro(methyl)silyl]propyl methyl sulfite?
The InChIKey is LPNYOPOVBHAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2O3SSi/c1-9-11(8)10-4-3-5-12(2,6)7/h3-5H2,1-2H3.
What are the key properties of 3-[difluoro(methyl)silyl]propyl methyl sulfite?
3-[difluoro(methyl)silyl]propyl methyl sulfite has a molecular weight of 218.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]propyl methyl sulfite is sourced from PubChem (CID 174136136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).