3-[difluoro(methyl)silyl]propyl dimethyl borate

C6H15BF2O3Si — CID 174136149

IUPAC3-[difluoro(methyl)silyl]propyl dimethyl borate
SMILESCOB(OC)OCCC[Si](C)(F)F
InChIInChI=1S/C6H15BF2O3Si/c1-10-7(11-2)12-5-4-6-13(3,8)9/h4-6H2,1-3H3
InChIKeyQGFHFHYGMVBMGH-UHFFFAOYSA-N
MW212.08 g/mol
LogP1.68
Rot. Bonds7

About 3-[difluoro(methyl)silyl]propyl dimethyl borate

3-[difluoro(methyl)silyl]propyl dimethyl borate (PubChem CID 174136149) has the molecular formula C6H15BF2O3Si and a molecular weight of 212.08 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propyl dimethyl borate.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propyl dimethyl borate
PubChem CID174136149
Molecular FormulaC6H15BF2O3Si
Molecular Weight212.08 g/mol
Exact Mass212.09
IUPAC Name3-[difluoro(methyl)silyl]propyl dimethyl borate
SMILESCOB(OC)OCCC[Si](C)(F)F
InChIInChI=1S/C6H15BF2O3Si/c1-10-7(11-2)12-5-4-6-13(3,8)9/h4-6H2,1-3H3
InChIKeyQGFHFHYGMVBMGH-UHFFFAOYSA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propyl dimethyl borate?
The IUPAC name of 3-[difluoro(methyl)silyl]propyl dimethyl borate (CID 174136149) is 3-[difluoro(methyl)silyl]propyl dimethyl borate.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propyl dimethyl borate?
The canonical SMILES for 3-[difluoro(methyl)silyl]propyl dimethyl borate is COB(OC)OCCC[Si](C)(F)F.
What is the InChIKey of 3-[difluoro(methyl)silyl]propyl dimethyl borate?
The InChIKey is QGFHFHYGMVBMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BF2O3Si/c1-10-7(11-2)12-5-4-6-13(3,8)9/h4-6H2,1-3H3.
What are the key properties of 3-[difluoro(methyl)silyl]propyl dimethyl borate?
3-[difluoro(methyl)silyl]propyl dimethyl borate has a molecular weight of 212.08 g/mol, XLogP of 1.68, 7 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 dimethyl borate is sourced from PubChem (CID 174136149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).