2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone

C10H17F4NOSi — CID 134827885

IUPAC2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone
SMILESC[Si](C)(C)[C@@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1F
InChIInChI=1S/C10H17F4NOSi/c1-17(2,3)8-4-5-15(6-7(8)11)9(16)10(12,13)14/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJIDLUAAEJBWVKF-JGVFFNPUSA-N
MW271.33 g/mol
LogP2.83
Rot. Bonds1

About 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone

2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone (PubChem CID 134827885) has the molecular formula C10H17F4NOSi and a molecular weight of 271.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone
PubChem CID134827885
Molecular FormulaC10H17F4NOSi
Molecular Weight271.33 g/mol
Exact Mass271.10
IUPAC Name2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone
SMILESC[Si](C)(C)[C@@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1F
InChIInChI=1S/C10H17F4NOSi/c1-17(2,3)8-4-5-15(6-7(8)11)9(16)10(12,13)14/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJIDLUAAEJBWVKF-JGVFFNPUSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-[(3R,4S)-4-fluoro-3-methylpiperidin-1-yl]ethanone
CID 134827923
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
2,2,2-trifluoro-1-(9-oxa-3-azabicyclo[4.2.1]non-7-en-3-yl)ethanone
CID 45080692
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2,2-trifluoroethanone
CID 81482887
2,2,2-trifluoro-1-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]ethanone
CID 155894161
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598
1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone (CID 134827885) is 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone is C[Si](C)(C)[C@@H]1CCN(C(=O)C(F)(F)F)C[C@@H]1F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone?
The InChIKey is JIDLUAAEJBWVKF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17F4NOSi/c1-17(2,3)8-4-5-15(6-7(8)11)9(16)10(12,13)14/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone has a molecular weight of 271.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-trimethylsilylpiperidin-1-yl]ethanone is sourced from PubChem (CID 134827885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).