4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane

C18H28BrFSi — CID 137327923

IUPAC4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane
SMILESCCCc1ccc(CCCC[SiH]2CCC(Br)CC2)cc1F
InChIInChI=1S/C18H28BrFSi/c1-2-5-16-8-7-15(14-18(16)20)6-3-4-11-21-12-9-17(19)10-13-21/h7-8,14,17,21H,2-6,9-13H2,1H3
InChIKeyNPFHUCKSJLHHJB-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.89
Rot. Bonds7

About 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane

4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane (PubChem CID 137327923) has the molecular formula C18H28BrFSi and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane.

Molecular Properties

Compound Name4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane
PubChem CID137327923
Molecular FormulaC18H28BrFSi
Molecular Weight371.41 g/mol
Exact Mass370.11
IUPAC Name4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane
SMILESCCCc1ccc(CCCC[SiH]2CCC(Br)CC2)cc1F
InChIInChI=1S/C18H28BrFSi/c1-2-5-16-8-7-15(14-18(16)20)6-3-4-11-21-12-9-17(19)10-13-21/h7-8,14,17,21H,2-6,9-13H2,1H3
InChIKeyNPFHUCKSJLHHJB-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.89
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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Related Compounds

4-[4-(4-bromocyclohexyl)butyl]-1-ethyl-2-fluorobenzene
CID 22913892
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-(2-bromoethyl)-2-fluoro-1-propylbenzene
CID 19988249
4-[4-(4-fluorophenyl)butyl]-1-heptylsilinane
CID 54462042
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062
1,8,9,9,10,10-hexafluoro-2-[2-(2-fluoro-4-pentylphenyl)ethyl]-7-propylphenanthrene
CID 88552688
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
1-[2-(4-ethylcyclohexyl)ethyl]-2-fluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 172817862
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
CID 22867214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane?
The IUPAC name of 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane (CID 137327923) is 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane.
What is the SMILES notation for 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane?
The canonical SMILES for 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane is CCCc1ccc(CCCC[SiH]2CCC(Br)CC2)cc1F.
What is the InChIKey of 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane?
The InChIKey is NPFHUCKSJLHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrFSi/c1-2-5-16-8-7-15(14-18(16)20)6-3-4-11-21-12-9-17(19)10-13-21/h7-8,14,17,21H,2-6,9-13H2,1H3.
What are the key properties of 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane?
4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane has a molecular weight of 371.41 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-(3-fluoro-4-propylphenyl)butyl]silinane is sourced from PubChem (CID 137327923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).