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

C8H15F3O3Si — CID 69101183

IUPAC2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
SMILESCC(F)C(F)(F)CC1CCC[Si](O)(O)O1
InChIInChI=1S/C8H15F3O3Si/c1-6(9)8(10,11)5-7-3-2-4-15(12,13)14-7/h6-7,12-13H,2-5H2,1H3
InChIKeyFBEJHHLBYXZRJW-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.47
Rot. Bonds3

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

2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane (PubChem CID 69101183) has the molecular formula C8H15F3O3Si and a molecular weight of 244.28 g/mol. Its IUPAC name is 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
PubChem CID69101183
Molecular FormulaC8H15F3O3Si
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
SMILESCC(F)C(F)(F)CC1CCC[Si](O)(O)O1
InChIInChI=1S/C8H15F3O3Si/c1-6(9)8(10,11)5-7-3-2-4-15(12,13)14-7/h6-7,12-13H,2-5H2,1H3
InChIKeyFBEJHHLBYXZRJW-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Dihydroxy-propan-2-yloxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 146677468
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-(3,4,4-trifluorobutyl)oxasilinane
CID 69101184
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
1,1,2-Triethoxy-2-(3,3,3-trifluoropropyl)silinane
CID 174600475
2,2-Dihydroxy-6-(2,3,3-trifluoropropyl)oxasilinane
CID 175052315
CID 18690551
CID 18690551

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane?
The IUPAC name of 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane (CID 69101183) is 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane.
What is the SMILES notation for 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane?
The canonical SMILES for 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane is CC(F)C(F)(F)CC1CCC[Si](O)(O)O1.
What is the InChIKey of 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane?
The InChIKey is FBEJHHLBYXZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O3Si/c1-6(9)8(10,11)5-7-3-2-4-15(12,13)14-7/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane?
2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane has a molecular weight of 244.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane is sourced from PubChem (CID 69101183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).