4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane

C23H36BrFSi — CID 22372120

IUPAC4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane
SMILESCC(F)CCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C23H36BrFSi/c1-19(25)6-5-15-26(23-7-3-2-4-8-23)16-13-22(14-17-26)21-11-9-20(18-24)10-12-21/h2-4,7-8,19-22H,5-6,9-18H2,1H3
InChIKeyRJYDDEICGAMTQA-UHFFFAOYSA-N
MW439.53 g/mol
LogP7.09
Rot. Bonds7

About 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane

4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane (PubChem CID 22372120) has the molecular formula C23H36BrFSi and a molecular weight of 439.53 g/mol. Its IUPAC name is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane.

Molecular Properties

Compound Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane
PubChem CID22372120
Molecular FormulaC23H36BrFSi
Molecular Weight439.53 g/mol
Exact Mass438.18
IUPAC Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane
SMILESCC(F)CCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C23H36BrFSi/c1-19(25)6-5-15-26(23-7-3-2-4-8-23)16-13-22(14-17-26)21-11-9-20(18-24)10-12-21/h2-4,7-8,19-22H,5-6,9-18H2,1H3
InChIKeyRJYDDEICGAMTQA-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.53
LogP ≤ 57.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane?
The IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane (CID 22372120) is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane.
What is the SMILES notation for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane?
The canonical SMILES for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane is CC(F)CCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1.
What is the InChIKey of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane?
The InChIKey is RJYDDEICGAMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36BrFSi/c1-19(25)6-5-15-26(23-7-3-2-4-8-23)16-13-22(14-17-26)21-11-9-20(18-24)10-12-21/h2-4,7-8,19-22H,5-6,9-18H2,1H3.
What are the key properties of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane?
4-[4-(bromomethyl)cyclohexyl]-1-(4-fluoropentyl)-1-phenylsilinane has a molecular weight of 439.53 g/mol, XLogP of 7.09, 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-phenylsilinane is sourced from PubChem (CID 22372120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).