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

C13H25FOSi — CID 10586423

IUPAC1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H]([Si](F)(C(C)C)C(C)C)C1
InChIInChI=1S/C13H25FOSi/c1-9(2)16(14,10(3)4)13-7-6-12(8-13)11(5)15/h9-10,12-13H,6-8H2,1-5H3/t12-,13-/m1/s1
InChIKeyKMPXCAVACGMPIK-CHWSQXEVSA-N
MW244.43 g/mol
LogP4.48
Rot. Bonds4

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

1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone (PubChem CID 10586423) has the molecular formula C13H25FOSi and a molecular weight of 244.43 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
PubChem CID10586423
Molecular FormulaC13H25FOSi
Molecular Weight244.43 g/mol
Exact Mass244.17
IUPAC Name1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@H]([Si](F)(C(C)C)C(C)C)C1
InChIInChI=1S/C13H25FOSi/c1-9(2)16(14,10(3)4)13-7-6-12(8-13)11(5)15/h9-10,12-13H,6-8H2,1-5H3/t12-,13-/m1/s1
InChIKeyKMPXCAVACGMPIK-CHWSQXEVSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.48
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

1-Cyclopentyl-3-(trimethylsilyl)prop-2-yn-1-one
CID 12748618
Cyclohexanone, 2-[(trimethylsilyl)methyl]-
CID 11989260
2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
3-(2-Trimethylsilylethynyl)cyclopentan-1-one
CID 86019140
(2S,4R)-2-[tert-butyl(dimethyl)silyl]-4-fluoro-6-methylheptan-3-one
CID 15522422
5-Methyl-3-(trimethylsilylmethyl)hexan-2-one
CID 12607716
2-Methyl-3-trimethylsilylcyclohexan-1-one
CID 12635911
cis-(2R,3R)-2-methyl-3-trimethylsilylcyclohexan-1-one
CID 12635913
2-Methyl-3-(trimethylsilylmethyl)cyclopentan-1-one
CID 13625361
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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone (CID 10586423) is 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone is CC(=O)[C@@H]1CC[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]cyclopentyl]ethanone?
The InChIKey is KMPXCAVACGMPIK-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25FOSi/c1-9(2)16(14,10(3)4)13-7-6-12(8-13)11(5)15/h9-10,12-13H,6-8H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone?
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone has a molecular weight of 244.43 g/mol, XLogP of 4.48, 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]cyclopentyl]ethanone is sourced from PubChem (CID 10586423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).