ethane;trimethoxy(3,3,3-trifluoropropyl)silane

C8H19F3O3Si — CID 54491080

IUPACethane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C6H13F3O3Si.C2H6/c1-10-13(11-2,12-3)5-4-6(7,8)9;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyXVTSOXMERPVEPK-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.84
Rot. Bonds5

About ethane;trimethoxy(3,3,3-trifluoropropyl)silane

ethane;trimethoxy(3,3,3-trifluoropropyl)silane (PubChem CID 54491080) has the molecular formula C8H19F3O3Si and a molecular weight of 248.32 g/mol. Its IUPAC name is ethane;trimethoxy(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nameethane;trimethoxy(3,3,3-trifluoropropyl)silane
PubChem CID54491080
Molecular FormulaC8H19F3O3Si
Molecular Weight248.32 g/mol
Exact Mass248.11
IUPAC Nameethane;trimethoxy(3,3,3-trifluoropropyl)silane
SMILESCC.CO[Si](CCC(F)(F)F)(OC)OC
InChIInChI=1S/C6H13F3O3Si.C2H6/c1-10-13(11-2,12-3)5-4-6(7,8)9;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyXVTSOXMERPVEPK-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;trimethoxy(3,3,3-trifluoropropyl)silane?
The IUPAC name of ethane;trimethoxy(3,3,3-trifluoropropyl)silane (CID 54491080) is ethane;trimethoxy(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for ethane;trimethoxy(3,3,3-trifluoropropyl)silane?
The canonical SMILES for ethane;trimethoxy(3,3,3-trifluoropropyl)silane is CC.CO[Si](CCC(F)(F)F)(OC)OC.
What is the InChIKey of ethane;trimethoxy(3,3,3-trifluoropropyl)silane?
The InChIKey is XVTSOXMERPVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3O3Si.C2H6/c1-10-13(11-2,12-3)5-4-6(7,8)9;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;trimethoxy(3,3,3-trifluoropropyl)silane?
ethane;trimethoxy(3,3,3-trifluoropropyl)silane has a molecular weight of 248.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trimethoxy(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 54491080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).