1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane

C21H33FSi — CID 22864507

IUPAC1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane
SMILESCCC1CCC(CC[SiH]2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H33FSi/c1-2-17-3-5-18(6-4-17)11-14-23-15-12-20(13-16-23)19-7-9-21(22)10-8-19/h7-10,17-18,20,23H,2-6,11-16H2,1H3
InChIKeyJFKUQXUNDWICTA-UHFFFAOYSA-N
MW332.58 g/mol
LogP6.54
Rot. Bonds5

About 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane

1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane (PubChem CID 22864507) has the molecular formula C21H33FSi and a molecular weight of 332.58 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane
PubChem CID22864507
Molecular FormulaC21H33FSi
Molecular Weight332.58 g/mol
Exact Mass332.23
IUPAC Name1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane
SMILESCCC1CCC(CC[SiH]2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H33FSi/c1-2-17-3-5-18(6-4-17)11-14-23-15-12-20(13-16-23)19-7-9-21(22)10-8-19/h7-10,17-18,20,23H,2-6,11-16H2,1H3
InChIKeyJFKUQXUNDWICTA-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane (CID 22864507) is 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane is CCC1CCC(CC[SiH]2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane?
The InChIKey is JFKUQXUNDWICTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FSi/c1-2-17-3-5-18(6-4-17)11-14-23-15-12-20(13-16-23)19-7-9-21(22)10-8-19/h7-10,17-18,20,23H,2-6,11-16H2,1H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane?
1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane has a molecular weight of 332.58 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)ethyl]-4-(4-fluorophenyl)silinane is sourced from PubChem (CID 22864507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).