3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine

C12H18F3NOSi — CID 112548376

IUPAC3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
SMILESC[Si](C)(C)OC(C(N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H18F3NOSi/c1-18(2,3)17-11(12(13,14)15)10(16)9-7-5-4-6-8-9/h4-8,10-11H,16H2,1-3H3
InChIKeyYAVZLQBTPNYMSQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.47
Rot. Bonds4

About 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine

3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine (PubChem CID 112548376) has the molecular formula C12H18F3NOSi and a molecular weight of 277.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
PubChem CID112548376
Molecular FormulaC12H18F3NOSi
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
SMILESC[Si](C)(C)OC(C(N)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H18F3NOSi/c1-18(2,3)17-11(12(13,14)15)10(16)9-7-5-4-6-8-9/h4-8,10-11H,16H2,1-3H3
InChIKeyYAVZLQBTPNYMSQ-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
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 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine (CID 112548376) is 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine is C[Si](C)(C)OC(C(N)c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine?
The InChIKey is YAVZLQBTPNYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOSi/c1-18(2,3)17-11(12(13,14)15)10(16)9-7-5-4-6-8-9/h4-8,10-11H,16H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine?
3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine has a molecular weight of 277.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine is sourced from PubChem (CID 112548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).