3,4,4-trifluorobutoxysilane

C4H9F3OSi — CID 173024213

IUPAC3,4,4-trifluorobutoxysilane
SMILESFC(F)C(F)CCO[SiH3]
InChIInChI=1S/C4H9F3OSi/c5-3(4(6)7)1-2-8-9/h3-4H,1-2H2,9H3
InChIKeyMAHHYNOYTROZPO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.28
Rot. Bonds4

About 3,4,4-trifluorobutoxysilane

3,4,4-trifluorobutoxysilane (PubChem CID 173024213) has the molecular formula C4H9F3OSi and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,4,4-trifluorobutoxysilane.

Molecular Properties

Compound Name3,4,4-trifluorobutoxysilane
PubChem CID173024213
Molecular FormulaC4H9F3OSi
Molecular Weight158.20 g/mol
Exact Mass158.04
IUPAC Name3,4,4-trifluorobutoxysilane
SMILESFC(F)C(F)CCO[SiH3]
InChIInChI=1S/C4H9F3OSi/c5-3(4(6)7)1-2-8-9/h3-4H,1-2H2,9H3
InChIKeyMAHHYNOYTROZPO-UHFFFAOYSA-N
XLogP0.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.28
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 3,4,4-trifluorobutoxysilane?
The IUPAC name of 3,4,4-trifluorobutoxysilane (CID 173024213) is 3,4,4-trifluorobutoxysilane.
What is the SMILES notation for 3,4,4-trifluorobutoxysilane?
The canonical SMILES for 3,4,4-trifluorobutoxysilane is FC(F)C(F)CCO[SiH3].
What is the InChIKey of 3,4,4-trifluorobutoxysilane?
The InChIKey is MAHHYNOYTROZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3OSi/c5-3(4(6)7)1-2-8-9/h3-4H,1-2H2,9H3.
What are the key properties of 3,4,4-trifluorobutoxysilane?
3,4,4-trifluorobutoxysilane has a molecular weight of 158.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobutoxysilane is sourced from PubChem (CID 173024213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).