4,4,4-trifluorobutoxysilane

C4H9F3OSi — CID 123380435

IUPAC4,4,4-trifluorobutoxysilane
SMILESFC(F)(F)CCCO[SiH3]
InChIInChI=1S/C4H9F3OSi/c5-4(6,7)2-1-3-8-9/h1-3H2,9H3
InChIKeyOSVHTTNHWSDIFK-UHFFFAOYSA-N
MW158.19 g/mol
LogP0.63
Rot. Bonds3

About 4,4,4-trifluorobutoxysilane

4,4,4-trifluorobutoxysilane (PubChem CID 123380435) has the molecular formula C4H9F3OSi and a molecular weight of 158.19 g/mol. Its IUPAC name is 4,4,4-trifluorobutoxysilane.

Molecular Properties

Compound Name4,4,4-trifluorobutoxysilane
PubChem CID123380435
Molecular FormulaC4H9F3OSi
Molecular Weight158.19 g/mol
Exact Mass158.04
IUPAC Name4,4,4-trifluorobutoxysilane
SMILESFC(F)(F)CCCO[SiH3]
InChIInChI=1S/C4H9F3OSi/c5-4(6,7)2-1-3-8-9/h1-3H2,9H3
InChIKeyOSVHTTNHWSDIFK-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutoxysilane?
The IUPAC name of 4,4,4-trifluorobutoxysilane (CID 123380435) is 4,4,4-trifluorobutoxysilane.
What is the SMILES notation for 4,4,4-trifluorobutoxysilane?
The canonical SMILES for 4,4,4-trifluorobutoxysilane is FC(F)(F)CCCO[SiH3].
What is the InChIKey of 4,4,4-trifluorobutoxysilane?
The InChIKey is OSVHTTNHWSDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3OSi/c5-4(6,7)2-1-3-8-9/h1-3H2,9H3.
What are the key properties of 4,4,4-trifluorobutoxysilane?
4,4,4-trifluorobutoxysilane has a molecular weight of 158.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutoxysilane is sourced from PubChem (CID 123380435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).