2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

C16H20F2Si2 — CID 102134851

IUPAC2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c(F)cc1F
InChIInChI=1S/C16H20F2Si2/c1-19(2,3)9-7-13-11-14(8-10-20(4,5)6)16(18)12-15(13)17/h11-12H,1-6H3
InChIKeyDDVCSTKLUMXVAM-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.42
Rot. Bonds

About 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane

2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (PubChem CID 102134851) has the molecular formula C16H20F2Si2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
PubChem CID102134851
Molecular FormulaC16H20F2Si2
Molecular Weight306.50 g/mol
Exact Mass306.11
IUPAC Name2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c(F)cc1F
InChIInChI=1S/C16H20F2Si2/c1-19(2,3)9-7-13-11-14(8-10-20(4,5)6)16(18)12-15(13)17/h11-12H,1-6H3
InChIKeyDDVCSTKLUMXVAM-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.42
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

2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
CID 168984861
2-[3-amino-7-fluoro-6-(2-trimethylsilylethynyl)quinolin-2-yl]propan-2-ol
CID 178068396
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-5-(2-trimethylsilylethynyl)benzaldehyde
CID 91348202
2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 170905430
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
5-chloro-6-fluoro-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 156715435
[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid
CID 168984899
2-fluoro-4-nitro-6-(2-trimethylsilylethynyl)aniline
CID 154776252
trimethyl-[2-[2,3,5,6-tetrafluoro-4-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 145191695
[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
CID 151363788
ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 90942554
2-[4-(5-tert-butyl-1,3-dithian-2-yl)-2-fluorophenyl]ethynyl-trimethylsilane
CID 22421086

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane (CID 102134851) is 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(C#C[Si](C)(C)C)c(F)cc1F.
What is the InChIKey of 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is DDVCSTKLUMXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2Si2/c1-19(2,3)9-7-13-11-14(8-10-20(4,5)6)16(18)12-15(13)17/h11-12H,1-6H3.
What are the key properties of 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane?
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 306.50 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 102134851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).