triethylsilane;2,2,2-trifluoroacetic acid;hydrate

C8H19F3O3Si — CID 131728328

IUPACtriethylsilane;2,2,2-trifluoroacetic acid;hydrate
SMILESCC[SiH](CC)CC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16Si.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h7H,4-6H2,1-3H3;(H,6,7);1H2
InChIKeyDMIXAOISYBKSOC-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.08
Rot. Bonds3

About triethylsilane;2,2,2-trifluoroacetic acid;hydrate

triethylsilane;2,2,2-trifluoroacetic acid;hydrate (PubChem CID 131728328) has the molecular formula C8H19F3O3Si and a molecular weight of 248.32 g/mol. Its IUPAC name is triethylsilane;2,2,2-trifluoroacetic acid;hydrate.

Molecular Properties

Compound Nametriethylsilane;2,2,2-trifluoroacetic acid;hydrate
PubChem CID131728328
Molecular FormulaC8H19F3O3Si
Molecular Weight248.32 g/mol
Exact Mass248.11
IUPAC Nametriethylsilane;2,2,2-trifluoroacetic acid;hydrate
SMILESCC[SiH](CC)CC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16Si.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h7H,4-6H2,1-3H3;(H,6,7);1H2
InChIKeyDMIXAOISYBKSOC-UHFFFAOYSA-N
XLogP2.08
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 triethylsilane;2,2,2-trifluoroacetic acid;hydrate?
The IUPAC name of triethylsilane;2,2,2-trifluoroacetic acid;hydrate (CID 131728328) is triethylsilane;2,2,2-trifluoroacetic acid;hydrate.
What is the SMILES notation for triethylsilane;2,2,2-trifluoroacetic acid;hydrate?
The canonical SMILES for triethylsilane;2,2,2-trifluoroacetic acid;hydrate is CC[SiH](CC)CC.O.O=C(O)C(F)(F)F.
What is the InChIKey of triethylsilane;2,2,2-trifluoroacetic acid;hydrate?
The InChIKey is DMIXAOISYBKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.C2HF3O2.H2O/c1-4-7(5-2)6-3;3-2(4,5)1(6)7;/h7H,4-6H2,1-3H3;(H,6,7);1H2.
What are the key properties of triethylsilane;2,2,2-trifluoroacetic acid;hydrate?
triethylsilane;2,2,2-trifluoroacetic acid;hydrate has a molecular weight of 248.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilane;2,2,2-trifluoroacetic acid;hydrate is sourced from PubChem (CID 131728328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).