[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane

C17H16F2Si — CID 86078696

IUPAC[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2Si/c1-20(2,3)17-8-6-13(7-9-17)4-5-14-10-15(18)12-16(19)11-14/h6-12H,1-3H3
InChIKeyZRRKBBRZHOXQGN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.91
Rot. Bonds1

About [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane

[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane (PubChem CID 86078696) has the molecular formula C17H16F2Si and a molecular weight of 286.40 g/mol. Its IUPAC name is [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane
PubChem CID86078696
Molecular FormulaC17H16F2Si
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2Si/c1-20(2,3)17-8-6-13(7-9-17)4-5-14-10-15(18)12-16(19)11-14/h6-12H,1-3H3
InChIKeyZRRKBBRZHOXQGN-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.91
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

CID 136866068
CID 136866068
1-chloro-3-fluoro-5-[2-(4-methylphenyl)ethynyl]benzene
CID 146002851
(4-but-3-en-1-ynylphenyl)-trimethylsilane
CID 101111101
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
CID 170467968
1,3-difluoro-5-(2-iodoethynyl)benzene
CID 102221319
trimethyl-[3-(2-phenylethynyl)phenyl]silane
CID 66902044
tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
CID 101415329
2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
CID 18454768
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293793
(7-fluorophenanthren-2-yl)-trimethylsilane
CID 102460423
2-butyl-7-[2-(3,5-difluorophenyl)ethynyl]phenanthrene
CID 139883756

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane (CID 86078696) is [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(C#Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane?
The InChIKey is ZRRKBBRZHOXQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2Si/c1-20(2,3)17-8-6-13(7-9-17)4-5-14-10-15(18)12-16(19)11-14/h6-12H,1-3H3.
What are the key properties of [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane?
[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane has a molecular weight of 286.40 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane is sourced from PubChem (CID 86078696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).