1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene

C16H11F — CID 89140040

IUPAC1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H11F/c1-2-13-6-8-14(9-7-13)10-11-15-4-3-5-16(17)12-15/h2-9,12H,1H2
InChIKeyYYEHNIWULSVQEA-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.87
Rot. Bonds1

About 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene

1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene (PubChem CID 89140040) has the molecular formula C16H11F and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene
PubChem CID89140040
Molecular FormulaC16H11F
Molecular Weight222.26 g/mol
Exact Mass222.08
IUPAC Name1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H11F/c1-2-13-6-8-14(9-7-13)10-11-15-4-3-5-16(17)12-15/h2-9,12H,1H2
InChIKeyYYEHNIWULSVQEA-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[2-(3-methylphenyl)ethynyl]benzene
CID 143254024
4-[2-(3-fluorophenyl)ethynyl]benzoic acid
CID 23533987
1-fluoro-3-(3-fluoroprop-1-ynyl)benzene
CID 91874936
(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
CID 173336751
1-fluoro-3-(3-methylidenehex-4-en-1-ynyl)benzene
CID 123702616
1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol
CID 70291705
2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
CID 71402744
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
ethane;1-ethenyl-4-fluorobenzene
CID 143529924
1-fluoro-3-[(E)-4-methoxybut-3-en-1-ynyl]benzene
CID 84618099
3-fluorobenzonitrile;hydrochloride
CID 140590350
N-[1-[3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-methylbut-3-en-2-amine
CID 89262591

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene (CID 89140040) is 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene is C=Cc1ccc(C#Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene?
The InChIKey is YYEHNIWULSVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F/c1-2-13-6-8-14(9-7-13)10-11-15-4-3-5-16(17)12-15/h2-9,12H,1H2.
What are the key properties of 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene?
1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene has a molecular weight of 222.26 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(3-fluorophenyl)ethynyl]benzene is sourced from PubChem (CID 89140040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).