2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane

C22H20F4Si — CID 141294986

IUPAC2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane
SMILESCCCc1cc(F)c(C#Cc2cc(F)c(C#C[Si](C)(C)C)c(F)c2)c(F)c1
InChIInChI=1S/C22H20F4Si/c1-5-6-15-11-19(23)17(20(24)12-15)8-7-16-13-21(25)18(22(26)14-16)9-10-27(2,3)4/h11-14H,5-6H2,1-4H3
InChIKeyGEWYPEHLRMOSIE-UHFFFAOYSA-N
MW388.48 g/mol
LogP5.82
Rot. Bonds2

About 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane

2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane (PubChem CID 141294986) has the molecular formula C22H20F4Si and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane
PubChem CID141294986
Molecular FormulaC22H20F4Si
Molecular Weight388.48 g/mol
Exact Mass388.13
IUPAC Name2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane
SMILESCCCc1cc(F)c(C#Cc2cc(F)c(C#C[Si](C)(C)C)c(F)c2)c(F)c1
InChIInChI=1S/C22H20F4Si/c1-5-6-15-11-19(23)17(20(24)12-15)8-7-16-13-21(25)18(22(26)14-16)9-10-27(2,3)4/h11-14H,5-6H2,1-4H3
InChIKeyGEWYPEHLRMOSIE-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.48
LogP ≤ 55.82
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

6-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859605
2-[2-[3,5-difluoro-4-[2-(4-propoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-difluoro-5-propylbenzene
CID 139757161
2-[2-(4-ethyl-3,5-difluorophenyl)ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethynyl]benzene
CID 139757194
2-[2-[4-[2-(4-ethoxy-3,5-difluorophenyl)ethynyl]-3-fluorophenyl]ethynyl]-1,3-difluoro-5-propylbenzene
CID 139757252
1,3-difluoro-2,5-bis[2-(4-octylphenyl)ethynyl]benzene
CID 18959970
1,3-difluoro-2-[2-(4-hexylphenyl)ethynyl]-5-[2-(4-octylphenyl)ethynyl]benzene
CID 18959989
2-[2-[4-(4-ethylphenyl)-3-fluorophenyl]ethynyl]-1,3-difluoro-5-propylbenzene
CID 67683089
[4-[2-(4-ethyl-2,6-difluorophenyl)ethynyl]phenyl]-(4-propylphenyl)diazene
CID 135130201
6-[2-[4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857736
2-[2-[4-[2-(4-butyl-3-fluorophenyl)ethynyl]-3-fluorophenyl]ethynyl]-1,3-difluoro-5-propylbenzene
CID 139757169
2-[2-(4-ethoxy-3,5-difluorophenyl)ethynyl]-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethynyl]benzene
CID 139757212
2-[2-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]ethynyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 59247441

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane (CID 141294986) is 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane is CCCc1cc(F)c(C#Cc2cc(F)c(C#C[Si](C)(C)C)c(F)c2)c(F)c1.
What is the InChIKey of 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane?
The InChIKey is GEWYPEHLRMOSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4Si/c1-5-6-15-11-19(23)17(20(24)12-15)8-7-16-13-21(25)18(22(26)14-16)9-10-27(2,3)4/h11-14H,5-6H2,1-4H3.
What are the key properties of 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane?
2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane has a molecular weight of 388.48 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-2,6-difluorophenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 141294986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).