2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine

C8H18F3NO2Si — CID 75210601

IUPAC2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine
SMILESC[Si](C)(C)CCCN.O=C(O)C(F)(F)F
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)
InChIKeyJXDWYTGWUFJQNX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.31
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine

2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine (PubChem CID 75210601) has the molecular formula C8H18F3NO2Si and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine
PubChem CID75210601
Molecular FormulaC8H18F3NO2Si
Molecular Weight245.32 g/mol
Exact Mass245.11
IUPAC Name2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine
SMILESC[Si](C)(C)CCCN.O=C(O)C(F)(F)F
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)
InChIKeyJXDWYTGWUFJQNX-UHFFFAOYSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine?
The IUPAC name of 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine (CID 75210601) is 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine is C[Si](C)(C)CCCN.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine?
The InChIKey is JXDWYTGWUFJQNX-UHFFFAOYSA-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).
What are the key properties of 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine?
2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 75210601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).