2,2,3,3,4,4,4-heptafluorobutoxysilane

C4H5F7OSi — CID 123234500

IUPAC2,2,3,3,4,4,4-heptafluorobutoxysilane
SMILESFC(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C4H5F7OSi/c5-2(6,1-12-13)3(7,8)4(9,10)11/h1H2,13H3
InChIKeyDOAOIMDCSGHWLG-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.12
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluorobutoxysilane

2,2,3,3,4,4,4-heptafluorobutoxysilane (PubChem CID 123234500) has the molecular formula C4H5F7OSi and a molecular weight of 230.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutoxysilane.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutoxysilane
PubChem CID123234500
Molecular FormulaC4H5F7OSi
Molecular Weight230.15 g/mol
Exact Mass230.00
IUPAC Name2,2,3,3,4,4,4-heptafluorobutoxysilane
SMILESFC(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C4H5F7OSi/c5-2(6,1-12-13)3(7,8)4(9,10)11/h1H2,13H3
InChIKeyDOAOIMDCSGHWLG-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutoxysilane?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutoxysilane (CID 123234500) is 2,2,3,3,4,4,4-heptafluorobutoxysilane.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutoxysilane?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutoxysilane is FC(F)(F)C(F)(F)C(F)(F)CO[SiH3].
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutoxysilane?
The InChIKey is DOAOIMDCSGHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F7OSi/c5-2(6,1-12-13)3(7,8)4(9,10)11/h1H2,13H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutoxysilane?
2,2,3,3,4,4,4-heptafluorobutoxysilane has a molecular weight of 230.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutoxysilane is sourced from PubChem (CID 123234500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).