1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane

C24H32BrFSi — CID 139684349

IUPAC1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane
SMILESCCCCCC1CC[Si](F)(c2ccc(CCc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C24H32BrFSi/c1-2-3-4-5-20-16-18-27(26,19-17-20)24-14-10-22(11-15-24)7-6-21-8-12-23(25)13-9-21/h8-15,20H,2-7,16-19H2,1H3
InChIKeyFOWQMUVCFKTSLK-UHFFFAOYSA-N
MW447.51 g/mol
LogP7.35
Rot. Bonds8

About 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane

1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane (PubChem CID 139684349) has the molecular formula C24H32BrFSi and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane.

Molecular Properties

Compound Name1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane
PubChem CID139684349
Molecular FormulaC24H32BrFSi
Molecular Weight447.51 g/mol
Exact Mass446.14
IUPAC Name1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane
SMILESCCCCCC1CC[Si](F)(c2ccc(CCc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C24H32BrFSi/c1-2-3-4-5-20-16-18-27(26,19-17-20)24-14-10-22(11-15-24)7-6-21-8-12-23(25)13-9-21/h8-15,20H,2-7,16-19H2,1H3
InChIKeyFOWQMUVCFKTSLK-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 57.35
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene
CID 3827903
(4-Bromobenzyl)trimethylsilane
CID 5043463
1-bromo-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 10523239
2-(4-Bromophenyl)ethynyl-dimethyl-phenylsilane
CID 140704455
1-Bromo-4-(4-phenylbutyl)benzene
CID 163498667
1-Bromo-4-(trans-4-butylcyclohexyl)benzene
CID 15458091
1-Bromo-4-[3-(4-fluorophenyl)hepta-1,2-dienyl]benzene
CID 60153360
1-Bromo-4-[difluoro-(4-phenylcyclohex-3-en-1-yl)methyl]benzene
CID 162399994
benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane
CID 164678741
[(E)-2-(4-bromophenyl)ethenyl]-trimethylsilane
CID 11851120
[2-(4-Bromophenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 23635204
(1S)-1-[3-(4-bromophenyl)propyl]-2,3-dihydro-1H-1-benzosilole
CID 177930187

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane?
The IUPAC name of 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane (CID 139684349) is 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane.
What is the SMILES notation for 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane?
The canonical SMILES for 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane is CCCCCC1CC[Si](F)(c2ccc(CCc3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane?
The InChIKey is FOWQMUVCFKTSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrFSi/c1-2-3-4-5-20-16-18-27(26,19-17-20)24-14-10-22(11-15-24)7-6-21-8-12-23(25)13-9-21/h8-15,20H,2-7,16-19H2,1H3.
What are the key properties of 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane?
1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane has a molecular weight of 447.51 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-bromophenyl)ethyl]phenyl]-1-fluoro-4-pentylsilinane is sourced from PubChem (CID 139684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).