4-(4-bromo-3-fluorophenyl)-1-pentylsilinane

C16H24BrFSi — CID 54737119

IUPAC4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C16H24BrFSi/c1-2-3-4-9-19-10-7-13(8-11-19)14-5-6-15(17)16(18)12-14/h5-6,12-13,19H,2-4,7-11H2,1H3
InChIKeyGGYDJYMKJCPRKL-UHFFFAOYSA-N
MW343.36 g/mol
LogP5.88
Rot. Bonds5

About 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane

4-(4-bromo-3-fluorophenyl)-1-pentylsilinane (PubChem CID 54737119) has the molecular formula C16H24BrFSi and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
PubChem CID54737119
Molecular FormulaC16H24BrFSi
Molecular Weight343.36 g/mol
Exact Mass342.08
IUPAC Name4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
SMILESCCCCC[SiH]1CCC(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C16H24BrFSi/c1-2-3-4-9-19-10-7-13(8-11-19)14-5-6-15(17)16(18)12-14/h5-6,12-13,19H,2-4,7-11H2,1H3
InChIKeyGGYDJYMKJCPRKL-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.36
LogP ≤ 55.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane (CID 54737119) is 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane is CCCCC[SiH]1CCC(c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane?
The InChIKey is GGYDJYMKJCPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFSi/c1-2-3-4-9-19-10-7-13(8-11-19)14-5-6-15(17)16(18)12-14/h5-6,12-13,19H,2-4,7-11H2,1H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane?
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane has a molecular weight of 343.36 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)-1-pentylsilinane is sourced from PubChem (CID 54737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).