triethylsilane;2,2,2-trifluoroacetic acid

C8H17F3O2Si — CID 131722655

IUPACtriethylsilane;2,2,2-trifluoroacetic acid
SMILESCC[SiH](CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16Si.C2HF3O2/c1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7H,4-6H2,1-3H3;(H,6,7)
InChIKeyMASNJXDMMSOROP-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.91
Rot. Bonds3

About triethylsilane;2,2,2-trifluoroacetic acid

triethylsilane;2,2,2-trifluoroacetic acid (PubChem CID 131722655) has the molecular formula C8H17F3O2Si and a molecular weight of 230.30 g/mol. Its IUPAC name is triethylsilane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametriethylsilane;2,2,2-trifluoroacetic acid
PubChem CID131722655
Molecular FormulaC8H17F3O2Si
Molecular Weight230.30 g/mol
Exact Mass230.09
IUPAC Nametriethylsilane;2,2,2-trifluoroacetic acid
SMILESCC[SiH](CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16Si.C2HF3O2/c1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7H,4-6H2,1-3H3;(H,6,7)
InChIKeyMASNJXDMMSOROP-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.91
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?
The IUPAC name of triethylsilane;2,2,2-trifluoroacetic acid (CID 131722655) is triethylsilane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for triethylsilane;2,2,2-trifluoroacetic acid?
The canonical SMILES for triethylsilane;2,2,2-trifluoroacetic acid is CC[SiH](CC)CC.O=C(O)C(F)(F)F.
What is the InChIKey of triethylsilane;2,2,2-trifluoroacetic acid?
The InChIKey is MASNJXDMMSOROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.C2HF3O2/c1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7H,4-6H2,1-3H3;(H,6,7).
What are the key properties of triethylsilane;2,2,2-trifluoroacetic acid?
triethylsilane;2,2,2-trifluoroacetic acid has a molecular weight of 230.30 g/mol, XLogP of 2.91, 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 is sourced from PubChem (CID 131722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).