3,3,3-trifluoro-N-trimethylsilylpropanamide

C6H12F3NOSi — CID 21411498

IUPAC3,3,3-trifluoro-N-trimethylsilylpropanamide
SMILESC[Si](C)(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C6H12F3NOSi/c1-12(2,3)10-5(11)4-6(7,8)9/h4H2,1-3H3,(H,10,11)
InChIKeyPOJQFLQYSSEGCH-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.89
Rot. Bonds2

About 3,3,3-trifluoro-N-trimethylsilylpropanamide

3,3,3-trifluoro-N-trimethylsilylpropanamide (PubChem CID 21411498) has the molecular formula C6H12F3NOSi and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-trimethylsilylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-trimethylsilylpropanamide
PubChem CID21411498
Molecular FormulaC6H12F3NOSi
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name3,3,3-trifluoro-N-trimethylsilylpropanamide
SMILESC[Si](C)(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C6H12F3NOSi/c1-12(2,3)10-5(11)4-6(7,8)9/h4H2,1-3H3,(H,10,11)
InChIKeyPOJQFLQYSSEGCH-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.89
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 3,3,3-trifluoro-N-trimethylsilylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-trimethylsilylpropanamide (CID 21411498) is 3,3,3-trifluoro-N-trimethylsilylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-trimethylsilylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-trimethylsilylpropanamide is C[Si](C)(C)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-trimethylsilylpropanamide?
The InChIKey is POJQFLQYSSEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOSi/c1-12(2,3)10-5(11)4-6(7,8)9/h4H2,1-3H3,(H,10,11).
What are the key properties of 3,3,3-trifluoro-N-trimethylsilylpropanamide?
3,3,3-trifluoro-N-trimethylsilylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-trimethylsilylpropanamide is sourced from PubChem (CID 21411498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).