benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane

C19H20BrFSi — CID 164678741

IUPACbenzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane
SMILESC=C(/C=C\c1ccc(Br)cc1F)[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C19H20BrFSi/c1-15(9-10-17-11-12-18(20)13-19(17)21)22(2,3)14-16-7-5-4-6-8-16/h4-13H,1,14H2,2-3H3/b10-9-
InChIKeyVTWYDRFJOUXDHM-KTKRTIGZSA-N
MW375.36 g/mol
LogP6.19
Rot. Bonds5

About benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane

benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane (PubChem CID 164678741) has the molecular formula C19H20BrFSi and a molecular weight of 375.36 g/mol. Its IUPAC name is benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane
PubChem CID164678741
Molecular FormulaC19H20BrFSi
Molecular Weight375.36 g/mol
Exact Mass374.05
IUPAC Namebenzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane
SMILESC=C(/C=C\c1ccc(Br)cc1F)[Si](C)(C)Cc1ccccc1
InChIInChI=1S/C19H20BrFSi/c1-15(9-10-17-11-12-18(20)13-19(17)21)22(2,3)14-16-7-5-4-6-8-16/h4-13H,1,14H2,2-3H3/b10-9-
InChIKeyVTWYDRFJOUXDHM-KTKRTIGZSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.36
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-4'-fluoro-1,1'-biphenyl
CID 96882
4-Bromo-2-fluoro-1,1'-biphenyl
CID 521063
1-Bromo-4-(2-phenylethenyl)benzene
CID 601389
Trans-1-Bromo-4-styrylbenzene (4)
CID 12245046
4-Bromostilbene
CID 5374623
(4-Bromophenylethynyl)trimethylsilane
CID 4226980
(4-Bromobenzyl)trimethylsilane
CID 5043463
4-Bromo-1-ethyl-2-fluorobenzene
CID 22641057
C14H10BrF
CID 21730366
4-Bromo-3-fluoro-4'-methyl-1,1'-biphenyl
CID 58028447
[2-(3-Bromo-4-fluorophenyl)ethynyl]trimethylsilane
CID 146155433
1-Bromo-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene
CID 56965175

Frequently Asked Questions

What is the IUPAC name of benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane?
The IUPAC name of benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane (CID 164678741) is benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane.
What is the SMILES notation for benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane?
The canonical SMILES for benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane is C=C(/C=C\c1ccc(Br)cc1F)[Si](C)(C)Cc1ccccc1.
What is the InChIKey of benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane?
The InChIKey is VTWYDRFJOUXDHM-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H20BrFSi/c1-15(9-10-17-11-12-18(20)13-19(17)21)22(2,3)14-16-7-5-4-6-8-16/h4-13H,1,14H2,2-3H3/b10-9-.
What are the key properties of benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane?
benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane has a molecular weight of 375.36 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(3Z)-4-(4-bromo-2-fluorophenyl)buta-1,3-dien-2-yl]-dimethylsilane is sourced from PubChem (CID 164678741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).