trimethyl(2,2,4,4,4-pentafluorobutoxy)silane

C7H13F5OSi — CID 174001334

IUPACtrimethyl(2,2,4,4,4-pentafluorobutoxy)silane
SMILESC[Si](C)(C)OCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H13F5OSi/c1-14(2,3)13-5-6(8,9)4-7(10,11)12/h4-5H2,1-3H3
InChIKeyKPKFVWKKANYBGS-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.43
Rot. Bonds4

About trimethyl(2,2,4,4,4-pentafluorobutoxy)silane

trimethyl(2,2,4,4,4-pentafluorobutoxy)silane (PubChem CID 174001334) has the molecular formula C7H13F5OSi and a molecular weight of 236.26 g/mol. Its IUPAC name is trimethyl(2,2,4,4,4-pentafluorobutoxy)silane.

Molecular Properties

Compound Nametrimethyl(2,2,4,4,4-pentafluorobutoxy)silane
PubChem CID174001334
Molecular FormulaC7H13F5OSi
Molecular Weight236.26 g/mol
Exact Mass236.07
IUPAC Nametrimethyl(2,2,4,4,4-pentafluorobutoxy)silane
SMILESC[Si](C)(C)OCC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H13F5OSi/c1-14(2,3)13-5-6(8,9)4-7(10,11)12/h4-5H2,1-3H3
InChIKeyKPKFVWKKANYBGS-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.43
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 trimethyl(2,2,4,4,4-pentafluorobutoxy)silane?
The IUPAC name of trimethyl(2,2,4,4,4-pentafluorobutoxy)silane (CID 174001334) is trimethyl(2,2,4,4,4-pentafluorobutoxy)silane.
What is the SMILES notation for trimethyl(2,2,4,4,4-pentafluorobutoxy)silane?
The canonical SMILES for trimethyl(2,2,4,4,4-pentafluorobutoxy)silane is C[Si](C)(C)OCC(F)(F)CC(F)(F)F.
What is the InChIKey of trimethyl(2,2,4,4,4-pentafluorobutoxy)silane?
The InChIKey is KPKFVWKKANYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F5OSi/c1-14(2,3)13-5-6(8,9)4-7(10,11)12/h4-5H2,1-3H3.
What are the key properties of trimethyl(2,2,4,4,4-pentafluorobutoxy)silane?
trimethyl(2,2,4,4,4-pentafluorobutoxy)silane has a molecular weight of 236.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2,2,4,4,4-pentafluorobutoxy)silane is sourced from PubChem (CID 174001334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).