6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane

C8H17FO3Si — CID 18354045

IUPAC6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane
SMILESCCCC(F)C1CCC[Si](O)(O)O1
InChIInChI=1S/C8H17FO3Si/c1-2-4-7(9)8-5-3-6-13(10,11)12-8/h7-8,10-11H,2-6H2,1H3
InChIKeyBKDOOLHQFOEDCY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.23
Rot. Bonds3

About 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane

6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane (PubChem CID 18354045) has the molecular formula C8H17FO3Si and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane.

Molecular Properties

Compound Name6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane
PubChem CID18354045
Molecular FormulaC8H17FO3Si
Molecular Weight208.30 g/mol
Exact Mass208.09
IUPAC Name6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane
SMILESCCCC(F)C1CCC[Si](O)(O)O1
InChIInChI=1S/C8H17FO3Si/c1-2-4-7(9)8-5-3-6-13(10,11)12-8/h7-8,10-11H,2-6H2,1H3
InChIKeyBKDOOLHQFOEDCY-UHFFFAOYSA-N
XLogP1.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.23
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

2,2-Dihydroxy-6-(2,2,3-trifluorobutyl)oxasilinane
CID 69101183
2,2-Dihydroxy-6-(3,4,4-trifluorobutyl)oxasilinane
CID 69101184
6-(2-Fluorobutyl)-2,2-dihydroxyoxasilinane
CID 69715235
6-(1-Fluoropropyl)-2,2-dimethyloxasilinane
CID 70000066
2,2-Dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
CID 70183797
Diethoxy-ethyl-(6-fluorohexan-2-yloxy)silane
CID 140070102
Ethyl-(7-fluoroheptan-3-yloxy)-dipropoxysilane
CID 140070134
2,2-Dimethyl-6-(4,4,4-trifluorobutyl)oxasilinane
CID 173600801
3-Fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
6-(3-Fluoropropyl)-2,2-dimethyloxasilinane
CID 174925212
4-Methyl(pentamethylene)silyloxyoctane
CID 574962
6-Butyl-2,2-dimethyloxasilinane
CID 69503362

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane?
The IUPAC name of 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane (CID 18354045) is 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane.
What is the SMILES notation for 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane?
The canonical SMILES for 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane is CCCC(F)C1CCC[Si](O)(O)O1.
What is the InChIKey of 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane?
The InChIKey is BKDOOLHQFOEDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3Si/c1-2-4-7(9)8-5-3-6-13(10,11)12-8/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane?
6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane has a molecular weight of 208.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluorobutyl)-2,2-dihydroxyoxasilinane is sourced from PubChem (CID 18354045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).