1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone

C14H27FOSi — CID 10658901

IUPAC1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(C)CC[C@@H]([Si](F)(C(C)C)C(C)C)C1
InChIInChI=1S/C14H27FOSi/c1-10(2)17(15,11(3)4)13-7-8-14(6,9-13)12(5)16/h10-11,13H,7-9H2,1-6H3/t13-,14-/m1/s1
InChIKeyYFXPXKIFXULKAB-ZIAGYGMSSA-N
MW258.45 g/mol
LogP4.87
Rot. Bonds4

About 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone

1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone (PubChem CID 10658901) has the molecular formula C14H27FOSi and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
PubChem CID10658901
Molecular FormulaC14H27FOSi
Molecular Weight258.45 g/mol
Exact Mass258.18
IUPAC Name1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
SMILESCC(=O)[C@]1(C)CC[C@@H]([Si](F)(C(C)C)C(C)C)C1
InChIInChI=1S/C14H27FOSi/c1-10(2)17(15,11(3)4)13-7-8-14(6,9-13)12(5)16/h10-11,13H,7-9H2,1-6H3/t13-,14-/m1/s1
InChIKeyYFXPXKIFXULKAB-ZIAGYGMSSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
(3R)-3-methyl-3-(3-trimethylsilylprop-2-ynyl)heptan-2-one
CID 16719376
3-[Tert-butyl(dimethyl)silyl]-3-methylcyclopentan-1-one
CID 85598144
3-(Trimethylsilylmethyl)heptan-2-one
CID 85613691
3-(Trimethylsilylmethyl)cyclopentan-1-one
CID 122216044
(3S)-3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 162401892
3-[[Fluoro(dimethyl)silyl]methyl]-3,5,5-trimethylcyclohexan-1-one
CID 10466416
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
CID 10586423
1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
CID 10847914
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
CID 10851665
2-(2-Trimethylsilylethyl)cyclopentan-1-one
CID 10397502

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone (CID 10658901) is 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone is CC(=O)[C@]1(C)CC[C@@H]([Si](F)(C(C)C)C(C)C)C1.
What is the InChIKey of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone?
The InChIKey is YFXPXKIFXULKAB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H27FOSi/c1-10(2)17(15,11(3)4)13-7-8-14(6,9-13)12(5)16/h10-11,13H,7-9H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone?
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone has a molecular weight of 258.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone is sourced from PubChem (CID 10658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).