1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one

C13H25FOSi — CID 10847914

IUPAC1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)[C@@H]1CC[C@@H]([Si](C)(C)F)C1
InChIInChI=1S/C13H25FOSi/c1-13(2,3)9-12(15)10-6-7-11(8-10)16(4,5)14/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyOIOSLENVUPGGDZ-GHMZBOCLSA-N
MW244.43 g/mol
LogP4.34
Rot. Bonds3

About 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one

1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one (PubChem CID 10847914) has the molecular formula C13H25FOSi and a molecular weight of 244.43 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
PubChem CID10847914
Molecular FormulaC13H25FOSi
Molecular Weight244.43 g/mol
Exact Mass244.17
IUPAC Name1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)[C@@H]1CC[C@@H]([Si](C)(C)F)C1
InChIInChI=1S/C13H25FOSi/c1-13(2,3)9-12(15)10-6-7-11(8-10)16(4,5)14/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyOIOSLENVUPGGDZ-GHMZBOCLSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.34
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'}

Analyze 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Trimethylsilylmethyl)cyclopentan-1-one
CID 10964965
1-Cyclopentyl-3,3-dimethylbutan-1-one
CID 60024602
1-[(1S,3S)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 153007308
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
cyclopentyl-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]methanone
CID 10562164
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]cyclopentyl]ethanone
CID 10586423
1-[(1R,3R)-3-[fluoro-di(propan-2-yl)silyl]-1-methylcyclopentyl]ethanone
CID 10658901
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.7]dodecan-12-one
CID 10805099
(3R,5R)-3-[fluoro-di(propan-2-yl)silyl]spiro[4.6]undecan-11-one
CID 10851665
1-[(1S,15S,17R)-17-[tert-butyl(difluoro)silyl]-1-bicyclo[13.3.0]octadecanyl]ethanone
CID 11112459
4-(1,1-Dimethylsilinan-3-yl)-3,3-dimethylbutan-2-one
CID 9991302
2-(2-Trimethylsilylethyl)cyclopentan-1-one
CID 10397502

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one (CID 10847914) is 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)[C@@H]1CC[C@@H]([Si](C)(C)F)C1.
What is the InChIKey of 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The InChIKey is OIOSLENVUPGGDZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25FOSi/c1-13(2,3)9-12(15)10-6-7-11(8-10)16(4,5)14/h10-11H,6-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
1-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one has a molecular weight of 244.43 g/mol, XLogP of 4.34, 3 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(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 10847914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).