methyl 2-[difluoro(methyl)silyl]ethanesulfonate

C4H10F2O3SSi — CID 174136199

IUPACmethyl 2-[difluoro(methyl)silyl]ethanesulfonate
SMILESCOS(=O)(=O)CC[Si](C)(F)F
InChIInChI=1S/C4H10F2O3SSi/c1-9-10(7,8)3-4-11(2,5)6/h3-4H2,1-2H3
InChIKeyBGRVDYVGHOSJKA-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[difluoro(methyl)silyl]ethanesulfonate

methyl 2-[difluoro(methyl)silyl]ethanesulfonate (PubChem CID 174136199) has the molecular formula C4H10F2O3SSi and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-[difluoro(methyl)silyl]ethanesulfonate.

Molecular Properties

Compound Namemethyl 2-[difluoro(methyl)silyl]ethanesulfonate
PubChem CID174136199
Molecular FormulaC4H10F2O3SSi
Molecular Weight204.27 g/mol
Exact Mass204.01
IUPAC Namemethyl 2-[difluoro(methyl)silyl]ethanesulfonate
SMILESCOS(=O)(=O)CC[Si](C)(F)F
InChIInChI=1S/C4H10F2O3SSi/c1-9-10(7,8)3-4-11(2,5)6/h3-4H2,1-2H3
InChIKeyBGRVDYVGHOSJKA-UHFFFAOYSA-N
XLogP0.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

difluoro-methyl-(3-methylsulfonylpropyl)silane
CID 153445078
methyl 3-methoxypropane-1-sulfonate
CID 59109575
methyl 2-methylsulfonyloxyethanesulfonate
CID 170321655
methyl but-3-yne-1-sulfonate
CID 174694777
methyl 10,10,10-trifluorodecane-1-sulfonate
CID 150831281
methyl 2-(dimethylamino)ethanesulfonate;hydrate;hydrochloride
CID 6367038
methyl 3-methoxysulfonylpropanoate
CID 11019488
sodium methoxysulfonylmethanesulfonate
CID 172738720
methyl 3-(2-methoxysulfonylethylsulfanyl)propane-1-sulfonate
CID 58175073
methyl 2-morpholin-4-ylethanesulfonate
CID 15145735
methoxy-(methoxysulfonylmethyl)-oxophosphanium
CID 130464254
methyl 20-oxoicosane-1-sulfonate
CID 22890276

Frequently Asked Questions

What is the IUPAC name of methyl 2-[difluoro(methyl)silyl]ethanesulfonate?
The IUPAC name of methyl 2-[difluoro(methyl)silyl]ethanesulfonate (CID 174136199) is methyl 2-[difluoro(methyl)silyl]ethanesulfonate.
What is the SMILES notation for methyl 2-[difluoro(methyl)silyl]ethanesulfonate?
The canonical SMILES for methyl 2-[difluoro(methyl)silyl]ethanesulfonate is COS(=O)(=O)CC[Si](C)(F)F.
What is the InChIKey of methyl 2-[difluoro(methyl)silyl]ethanesulfonate?
The InChIKey is BGRVDYVGHOSJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2O3SSi/c1-9-10(7,8)3-4-11(2,5)6/h3-4H2,1-2H3.
What are the key properties of methyl 2-[difluoro(methyl)silyl]ethanesulfonate?
methyl 2-[difluoro(methyl)silyl]ethanesulfonate has a molecular weight of 204.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[difluoro(methyl)silyl]ethanesulfonate is sourced from PubChem (CID 174136199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).