4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane

C23H35BrFISi — CID 67709728

IUPAC4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane
SMILESCC(F)CCC[Si]1(c2ccccc2I)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C23H35BrFISi/c1-18(25)5-4-14-27(23-7-3-2-6-22(23)26)15-12-21(13-16-27)20-10-8-19(17-24)9-11-20/h2-3,6-7,18-21H,4-5,8-17H2,1H3
InChIKeyLRDAPAGDMYAOGH-UHFFFAOYSA-N
MW565.43 g/mol
LogP7.70
Rot. Bonds7

About 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane

4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane (PubChem CID 67709728) has the molecular formula C23H35BrFISi and a molecular weight of 565.43 g/mol. Its IUPAC name is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane.

Molecular Properties

Compound Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane
PubChem CID67709728
Molecular FormulaC23H35BrFISi
Molecular Weight565.43 g/mol
Exact Mass564.07
IUPAC Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane
SMILESCC(F)CCC[Si]1(c2ccccc2I)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C23H35BrFISi/c1-18(25)5-4-14-27(23-7-3-2-6-22(23)26)15-12-21(13-16-27)20-10-8-19(17-24)9-11-20/h2-3,6-7,18-21H,4-5,8-17H2,1H3
InChIKeyLRDAPAGDMYAOGH-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane?
The IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane (CID 67709728) is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane.
What is the SMILES notation for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane?
The canonical SMILES for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane is CC(F)CCC[Si]1(c2ccccc2I)CCC(C2CCC(CBr)CC2)CC1.
What is the InChIKey of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane?
The InChIKey is LRDAPAGDMYAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35BrFISi/c1-18(25)5-4-14-27(23-7-3-2-6-22(23)26)15-12-21(13-16-27)20-10-8-19(17-24)9-11-20/h2-3,6-7,18-21H,4-5,8-17H2,1H3.
What are the key properties of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane?
4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane has a molecular weight of 565.43 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-(2-iodophenyl)silinane is sourced from PubChem (CID 67709728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).