3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid

C8H18F3NO2Si — CID 46735245

IUPAC3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])[Si](C)(CCCN)C([2H])([2H])[2H]
InChIInChI=1S/C6H17NSi.C2HF3O2/c1-8(2,3)6-4-5-7;3-2(4,5)1(6)7/h4-7H2,1-3H3;(H,6,7)/i1D3,2D3;
InChIKeyJXDWYTGWUFJQNX-TXHXQZCNSA-N
MW251.35 g/mol
LogP2.31
Rot. Bonds5

About 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid

3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 46735245) has the molecular formula C8H18F3NO2Si and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID46735245
Molecular FormulaC8H18F3NO2Si
Molecular Weight251.35 g/mol
Exact Mass251.14
IUPAC Name3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])[Si](C)(CCCN)C([2H])([2H])[2H]
InChIInChI=1S/C6H17NSi.C2HF3O2/c1-8(2,3)6-4-5-7;3-2(4,5)1(6)7/h4-7H2,1-3H3;(H,6,7)/i1D3,2D3;
InChIKeyJXDWYTGWUFJQNX-TXHXQZCNSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Aminopropyl)trimethylsilane; trifluoroacetic acid
CID 75210601
3-(Trimethylsilyl)azetidine; trifluoroacetic acid
CID 165744998
1-(Trimethylsilyl)cyclopropan-1-amine; trifluoroacetic acid
CID 165889722
2-[Bis(carboxymethyl)-(propylamino)silyl]acetic acid
CID 175274365

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid (CID 46735245) is 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[2H]C([2H])([2H])[Si](C)(CCCN)C([2H])([2H])[2H].
What is the InChIKey of 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JXDWYTGWUFJQNX-TXHXQZCNSA-N. The full InChI is InChI=1S/C6H17NSi.C2HF3O2/c1-8(2,3)6-4-5-7;3-2(4,5)1(6)7/h4-7H2,1-3H3;(H,6,7)/i1D3,2D3;.
What are the key properties of 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid?
3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 251.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-bis(trideuteriomethyl)silyl]propan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).