2-fluorobutoxysilane

C4H11FOSi — CID 173179118

IUPAC2-fluorobutoxysilane
SMILESCCC(F)CO[SiH3]
InChIInChI=1S/C4H11FOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3
InChIKeyPUXWSSALNLIKFS-UHFFFAOYSA-N
MW122.21 g/mol
LogP0.03
Rot. Bonds3

About 2-fluorobutoxysilane

2-fluorobutoxysilane (PubChem CID 173179118) has the molecular formula C4H11FOSi and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-fluorobutoxysilane.

Molecular Properties

Compound Name2-fluorobutoxysilane
PubChem CID173179118
Molecular FormulaC4H11FOSi
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name2-fluorobutoxysilane
SMILESCCC(F)CO[SiH3]
InChIInChI=1S/C4H11FOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3
InChIKeyPUXWSSALNLIKFS-UHFFFAOYSA-N
XLogP0.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 50.03
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 2-fluorobutoxysilane?
The IUPAC name of 2-fluorobutoxysilane (CID 173179118) is 2-fluorobutoxysilane.
What is the SMILES notation for 2-fluorobutoxysilane?
The canonical SMILES for 2-fluorobutoxysilane is CCC(F)CO[SiH3].
What is the InChIKey of 2-fluorobutoxysilane?
The InChIKey is PUXWSSALNLIKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FOSi/c1-2-4(5)3-6-7/h4H,2-3H2,1,7H3.
What are the key properties of 2-fluorobutoxysilane?
2-fluorobutoxysilane has a molecular weight of 122.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutoxysilane is sourced from PubChem (CID 173179118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).