[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane

C13H16ClFSi — CID 154717531

IUPAC[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane
SMILESC[Si](C)(F)C12CC(c3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C13H16ClFSi/c1-16(2,15)13-7-12(8-13,9-13)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyZZHADFPFMZKCDD-UHFFFAOYSA-N
MW254.81 g/mol
LogP4.69
Rot. Bonds2

About [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane

[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane (PubChem CID 154717531) has the molecular formula C13H16ClFSi and a molecular weight of 254.81 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane
PubChem CID154717531
Molecular FormulaC13H16ClFSi
Molecular Weight254.81 g/mol
Exact Mass254.07
IUPAC Name[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane
SMILESC[Si](C)(F)C12CC(c3ccc(Cl)cc3)(C1)C2
InChIInChI=1S/C13H16ClFSi/c1-16(2,15)13-7-12(8-13,9-13)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyZZHADFPFMZKCDD-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane
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1-(4-chlorophenyl)cyclobut-2-en-1-amine
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[(1S)-1-[(5S,7R)-3-(4-chlorophenyl)-1-adamantyl]ethyl]azanium
CID 7428300
2-(4-chlorophenyl)-2-methylcyclobutane-1,3-dione
CID 68579255
2-(bromomethyl)-2-(4-chlorophenyl)-4-methyl-1,3-dioxolane
CID 154098412
(5S)-3,5-bis(4-chlorophenyl)-5-ethyl-4H-1,2-oxazole
CID 102113523
4-chloro-5-[3-(4-chlorophenyl)-1-adamantyl]-6-methylpyrimidin-2-amine
CID 56698067
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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane?
The IUPAC name of [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane (CID 154717531) is [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane.
What is the SMILES notation for [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane?
The canonical SMILES for [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane is C[Si](C)(F)C12CC(c3ccc(Cl)cc3)(C1)C2.
What is the InChIKey of [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane?
The InChIKey is ZZHADFPFMZKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFSi/c1-16(2,15)13-7-12(8-13,9-13)10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane?
[3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane has a molecular weight of 254.81 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-bicyclo[1.1.1]pentanyl]-fluoro-dimethylsilane is sourced from PubChem (CID 154717531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).