2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane

C17H24BrFSi — CID 176789274

IUPAC2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc(Br)ccc1F)(C(C)C)C(C)C
InChIInChI=1S/C17H24BrFSi/c1-12(2)20(13(3)4,14(5)6)10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,1-6H3
InChIKeyUPLTVPRTKUHHIX-UHFFFAOYSA-N
MW355.37 g/mol
LogP6.16
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane

2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 176789274) has the molecular formula C17H24BrFSi and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane
PubChem CID176789274
Molecular FormulaC17H24BrFSi
Molecular Weight355.37 g/mol
Exact Mass354.08
IUPAC Name2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc(Br)ccc1F)(C(C)C)C(C)C
InChIInChI=1S/C17H24BrFSi/c1-12(2)20(13(3)4,14(5)6)10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,1-6H3
InChIKeyUPLTVPRTKUHHIX-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.37
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(4-bromobut-1-ynyl)-1-fluorobenzene
CID 170467136
2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane
CID 71545113
4-(5-bromo-2-fluorophenyl)but-3-yn-1-ol
CID 79742605
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
1-bromo-2-methyl-4-propylbenzene;1,2-difluoro-4-[3-fluoro-4-[2-(2-methyl-4-propylphenyl)ethynyl]phenyl]benzene;2-[4-(3,4-difluorophenyl)-2-fluorophenyl]ethynyl-tri(propan-2-yl)silane
CID 160899368
(S)-(5-bromo-2-methoxyphenyl)-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]methanol
CID 129406581
2-[13-[2-(4-bromophenyl)ethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102596944
2-[5-tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 102208638
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
1-(5-bromo-2-fluorophenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 105011894
[4-fluoro-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl] trifluoromethanesulfonate
CID 174156546
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
CID 63435784

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane (CID 176789274) is 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cc(Br)ccc1F)(C(C)C)C(C)C.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is UPLTVPRTKUHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFSi/c1-12(2)20(13(3)4,14(5)6)10-9-15-11-16(18)7-8-17(15)19/h7-8,11-14H,1-6H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane?
2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 355.37 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 176789274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).