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

C8H15F3OSi — CID 173354119

IUPAC6-(3,4,4-trifluorobutyl)oxasilinane
SMILESFC(F)C(F)CCC1CCC[SiH2]O1
InChIInChI=1S/C8H15F3OSi/c9-7(8(10)11)4-3-6-2-1-5-13-12-6/h6-8H,1-5,13H2
InChIKeySBBLTOYTXCJXHS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.05
Rot. Bonds4

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

6-(3,4,4-trifluorobutyl)oxasilinane (PubChem CID 173354119) has the molecular formula C8H15F3OSi and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-(3,4,4-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name6-(3,4,4-trifluorobutyl)oxasilinane
PubChem CID173354119
Molecular FormulaC8H15F3OSi
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name6-(3,4,4-trifluorobutyl)oxasilinane
SMILESFC(F)C(F)CCC1CCC[SiH2]O1
InChIInChI=1S/C8H15F3OSi/c9-7(8(10)11)4-3-6-2-1-5-13-12-6/h6-8H,1-5,13H2
InChIKeySBBLTOYTXCJXHS-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4-trifluorobutyl)oxasilinane?
The IUPAC name of 6-(3,4,4-trifluorobutyl)oxasilinane (CID 173354119) is 6-(3,4,4-trifluorobutyl)oxasilinane.
What is the SMILES notation for 6-(3,4,4-trifluorobutyl)oxasilinane?
The canonical SMILES for 6-(3,4,4-trifluorobutyl)oxasilinane is FC(F)C(F)CCC1CCC[SiH2]O1.
What is the InChIKey of 6-(3,4,4-trifluorobutyl)oxasilinane?
The InChIKey is SBBLTOYTXCJXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OSi/c9-7(8(10)11)4-3-6-2-1-5-13-12-6/h6-8H,1-5,13H2.
What are the key properties of 6-(3,4,4-trifluorobutyl)oxasilinane?
6-(3,4,4-trifluorobutyl)oxasilinane has a molecular weight of 212.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4-trifluorobutyl)oxasilinane is sourced from PubChem (CID 173354119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).