3-(difluoromethylsilyl)propyl methanesulfonate

C5H12F2O3SSi — CID 175393654

IUPAC3-(difluoromethylsilyl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCC[SiH2]C(F)F
InChIInChI=1S/C5H12F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4,12H2,1H3
InChIKeyYDYZEUZOBCENBI-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.16
Rot. Bonds6

About 3-(difluoromethylsilyl)propyl methanesulfonate

3-(difluoromethylsilyl)propyl methanesulfonate (PubChem CID 175393654) has the molecular formula C5H12F2O3SSi and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(difluoromethylsilyl)propyl methanesulfonate.

Molecular Properties

Compound Name3-(difluoromethylsilyl)propyl methanesulfonate
PubChem CID175393654
Molecular FormulaC5H12F2O3SSi
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name3-(difluoromethylsilyl)propyl methanesulfonate
SMILESCS(=O)(=O)OCCC[SiH2]C(F)F
InChIInChI=1S/C5H12F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4,12H2,1H3
InChIKeyYDYZEUZOBCENBI-UHFFFAOYSA-N
XLogP0.16
TPSA43.37 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 ≤ 50.16
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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsilyl)propyl methanesulfonate?
The IUPAC name of 3-(difluoromethylsilyl)propyl methanesulfonate (CID 175393654) is 3-(difluoromethylsilyl)propyl methanesulfonate.
What is the SMILES notation for 3-(difluoromethylsilyl)propyl methanesulfonate?
The canonical SMILES for 3-(difluoromethylsilyl)propyl methanesulfonate is CS(=O)(=O)OCCC[SiH2]C(F)F.
What is the InChIKey of 3-(difluoromethylsilyl)propyl methanesulfonate?
The InChIKey is YDYZEUZOBCENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4,12H2,1H3.
What are the key properties of 3-(difluoromethylsilyl)propyl methanesulfonate?
3-(difluoromethylsilyl)propyl methanesulfonate has a molecular weight of 218.30 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsilyl)propyl methanesulfonate is sourced from PubChem (CID 175393654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).