1,4-bis[2-(4-fluorophenyl)ethynyl]benzene

C22H12F2 — CID 4677208

IUPAC1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
SMILESFc1ccc(C#Cc2ccc(C#Cc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H
InChIKeyOROSXRIWOQFUHV-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.76
Rot. Bonds

About 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene

1,4-bis[2-(4-fluorophenyl)ethynyl]benzene (PubChem CID 4677208) has the molecular formula C22H12F2 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
PubChem CID4677208
Molecular FormulaC22H12F2
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
SMILESFc1ccc(C#Cc2ccc(C#Cc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H
InChIKeyOROSXRIWOQFUHV-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.76
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

p-Terphenyl
CID 7115
Diphenylacetylene
CID 10390
1,4-Diphenyl-1,3-butadiyne
CID 70174
4'-Ethynyl-2-fluorobiphenyl
CID 42040
1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11287739
1,3-difluoro-5-[(Z)-2-(4-fluorophenyl)ethenyl]benzene
CID 11310856
Trans-1-Fluoro-4-styryl-benzene (2)
CID 13016161
trans-Fluorostilbene
CID 11788847
1-Fluoro-4-((E)-styryl)-benzene
CID 5375540
1-fluoro-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10330812
1,4-Dibenzylbenzene
CID 236047
p-Terphenyl-d14
CID 123128

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene?
The IUPAC name of 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene (CID 4677208) is 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene.
What is the SMILES notation for 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene?
The canonical SMILES for 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene is Fc1ccc(C#Cc2ccc(C#Cc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene?
The InChIKey is OROSXRIWOQFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H.
What are the key properties of 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene?
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene has a molecular weight of 314.33 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene is sourced from PubChem (CID 4677208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).