4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane

C21H33FSi — CID 19593872

IUPAC4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane
SMILESFCCCC[Si]1(c2ccccc2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C21H33FSi/c22-15-7-8-16-23(21-11-5-2-6-12-21)17-13-20(14-18-23)19-9-3-1-4-10-19/h2,5-6,11-12,19-20H,1,3-4,7-10,13-18H2
InChIKeyADIZSGQZKOPNPR-UHFFFAOYSA-N
MW332.58 g/mol
LogP6.08
Rot. Bonds6

About 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane

4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane (PubChem CID 19593872) has the molecular formula C21H33FSi and a molecular weight of 332.58 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane
PubChem CID19593872
Molecular FormulaC21H33FSi
Molecular Weight332.58 g/mol
Exact Mass332.23
IUPAC Name4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane
SMILESFCCCC[Si]1(c2ccccc2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C21H33FSi/c22-15-7-8-16-23(21-11-5-2-6-12-21)17-13-20(14-18-23)19-9-3-1-4-10-19/h2,5-6,11-12,19-20H,1,3-4,7-10,13-18H2
InChIKeyADIZSGQZKOPNPR-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane?
The IUPAC name of 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane (CID 19593872) is 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane.
What is the SMILES notation for 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane?
The canonical SMILES for 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane is FCCCC[Si]1(c2ccccc2)CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane?
The InChIKey is ADIZSGQZKOPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FSi/c22-15-7-8-16-23(21-11-5-2-6-12-21)17-13-20(14-18-23)19-9-3-1-4-10-19/h2,5-6,11-12,19-20H,1,3-4,7-10,13-18H2.
What are the key properties of 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane?
4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane has a molecular weight of 332.58 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-fluorobutyl)-1-phenylsilinane is sourced from PubChem (CID 19593872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).