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

C22H34BrFSi — CID 19039128

IUPAC4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane
SMILESFCCCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C22H34BrFSi/c23-18-19-8-10-20(11-9-19)21-12-16-25(17-13-21,15-5-4-14-24)22-6-2-1-3-7-22/h1-3,6-7,19-21H,4-5,8-18H2
InChIKeyLFTRDZWIGXJFLA-UHFFFAOYSA-N
MW425.50 g/mol
LogP6.70
Rot. Bonds7

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

4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane (PubChem CID 19039128) has the molecular formula C22H34BrFSi and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane.

Molecular Properties

Compound Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane
PubChem CID19039128
Molecular FormulaC22H34BrFSi
Molecular Weight425.50 g/mol
Exact Mass424.16
IUPAC Name4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane
SMILESFCCCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C22H34BrFSi/c23-18-19-8-10-20(11-9-19)21-12-16-25(17-13-21,15-5-4-14-24)22-6-2-1-3-7-22/h1-3,6-7,19-21H,4-5,8-18H2
InChIKeyLFTRDZWIGXJFLA-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluorobutyl)-1-phenylsilinane?
The IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane (CID 19039128) is 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane.
What is the SMILES notation for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane?
The canonical SMILES for 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane is FCCCC[Si]1(c2ccccc2)CCC(C2CCC(CBr)CC2)CC1.
What is the InChIKey of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane?
The InChIKey is LFTRDZWIGXJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrFSi/c23-18-19-8-10-20(11-9-19)21-12-16-25(17-13-21,15-5-4-14-24)22-6-2-1-3-7-22/h1-3,6-7,19-21H,4-5,8-18H2.
What are the key properties of 4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane?
4-[4-(bromomethyl)cyclohexyl]-1-(4-fluorobutyl)-1-phenylsilinane has a molecular weight of 425.50 g/mol, XLogP of 6.70, 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-fluorobutyl)-1-phenylsilinane is sourced from PubChem (CID 19039128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).