2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane

C8H15F3O3Si — CID 69101184

IUPAC2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane
SMILESO[Si]1(O)CCCC(CCC(F)C(F)F)O1
InChIInChI=1S/C8H15F3O3Si/c9-7(8(10)11)4-3-6-2-1-5-15(12,13)14-6/h6-8,12-13H,1-5H2
InChIKeyKMBBAVKBAXGVFZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.47
Rot. Bonds4

About 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane

2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane (PubChem CID 69101184) has the molecular formula C8H15F3O3Si and a molecular weight of 244.28 g/mol. Its IUPAC name is 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane
PubChem CID69101184
Molecular FormulaC8H15F3O3Si
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane
SMILESO[Si]1(O)CCCC(CCC(F)C(F)F)O1
InChIInChI=1S/C8H15F3O3Si/c9-7(8(10)11)4-3-6-2-1-5-15(12,13)14-6/h6-8,12-13H,1-5H2
InChIKeyKMBBAVKBAXGVFZ-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-Fluorobutyl)-2,2-dihydroxyoxasilinane
CID 18354045
2-Methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
CID 19688934
2,2-Dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
CID 69101183
6-(2-Fluorobutyl)-2,2-dihydroxyoxasilinane
CID 69715235
2,2-Dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
CID 70183797
6-(2,2,3-Trifluorobutyl)oxasilinane
CID 173354117
6-(3,4,4-Trifluorobutyl)oxasilinane
CID 173354119
2,2-Dimethyl-6-(4,4,4-trifluorobutyl)oxasilinane
CID 173600801
2,2-Dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane
CID 175052315

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane?
The IUPAC name of 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane (CID 69101184) is 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane.
What is the SMILES notation for 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane?
The canonical SMILES for 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane is O[Si]1(O)CCCC(CCC(F)C(F)F)O1.
What is the InChIKey of 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane?
The InChIKey is KMBBAVKBAXGVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O3Si/c9-7(8(10)11)4-3-6-2-1-5-15(12,13)14-6/h6-8,12-13H,1-5H2.
What are the key properties of 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane?
2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane has a molecular weight of 244.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane is sourced from PubChem (CID 69101184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).