2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide

C14H20F3NOSi — CID 11055804

IUPAC2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide
SMILESC[C@H](/C=C/C=C/C#C[Si](C)(C)C)CNC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NOSi/c1-12(11-18-13(19)14(15,16)17)9-7-5-6-8-10-20(2,3)4/h5-7,9,12H,11H2,1-4H3,(H,18,19)/b6-5+,9-7+/t12-/m1/s1
InChIKeyOVSUVMLHLGQRJX-CNBHAXKCSA-N
MW303.40 g/mol
LogP3.29
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide

2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide (PubChem CID 11055804) has the molecular formula C14H20F3NOSi and a molecular weight of 303.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide
PubChem CID11055804
Molecular FormulaC14H20F3NOSi
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide
SMILESC[C@H](/C=C/C=C/C#C[Si](C)(C)C)CNC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NOSi/c1-12(11-18-13(19)14(15,16)17)9-7-5-6-8-10-20(2,3)4/h5-7,9,12H,11H2,1-4H3,(H,18,19)/b6-5+,9-7+/t12-/m1/s1
InChIKeyOVSUVMLHLGQRJX-CNBHAXKCSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide (CID 11055804) is 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide is C[C@H](/C=C/C=C/C#C[Si](C)(C)C)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide?
The InChIKey is OVSUVMLHLGQRJX-CNBHAXKCSA-N. The full InChI is InChI=1S/C14H20F3NOSi/c1-12(11-18-13(19)14(15,16)17)9-7-5-6-8-10-20(2,3)4/h5-7,9,12H,11H2,1-4H3,(H,18,19)/b6-5+,9-7+/t12-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide?
2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3E,5E)-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynyl]acetamide is sourced from PubChem (CID 11055804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).