1-fluoro-3-(2-phenylethynyl)biphenylene

C20H11F — CID 134938935

IUPAC1-fluoro-3-(2-phenylethynyl)biphenylene
SMILESFc1cc(C#Cc2ccccc2)cc2c1-c1ccccc1-2
InChIInChI=1S/C20H11F/c21-19-13-15(11-10-14-6-2-1-3-7-14)12-18-16-8-4-5-9-17(16)20(18)19/h1-9,12-13H
InChIKeyWPVFEYHIRZGJBB-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.87
Rot. Bonds

About 1-fluoro-3-(2-phenylethynyl)biphenylene

1-fluoro-3-(2-phenylethynyl)biphenylene (PubChem CID 134938935) has the molecular formula C20H11F and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-fluoro-3-(2-phenylethynyl)biphenylene.

Molecular Properties

Compound Name1-fluoro-3-(2-phenylethynyl)biphenylene
PubChem CID134938935
Molecular FormulaC20H11F
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name1-fluoro-3-(2-phenylethynyl)biphenylene
SMILESFc1cc(C#Cc2ccccc2)cc2c1-c1ccccc1-2
InChIInChI=1S/C20H11F/c21-19-13-15(11-10-14-6-2-1-3-7-14)12-18-16-8-4-5-9-17(16)20(18)19/h1-9,12-13H
InChIKeyWPVFEYHIRZGJBB-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-phenylethynyl)biphenylene?
The IUPAC name of 1-fluoro-3-(2-phenylethynyl)biphenylene (CID 134938935) is 1-fluoro-3-(2-phenylethynyl)biphenylene.
What is the SMILES notation for 1-fluoro-3-(2-phenylethynyl)biphenylene?
The canonical SMILES for 1-fluoro-3-(2-phenylethynyl)biphenylene is Fc1cc(C#Cc2ccccc2)cc2c1-c1ccccc1-2.
What is the InChIKey of 1-fluoro-3-(2-phenylethynyl)biphenylene?
The InChIKey is WPVFEYHIRZGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F/c21-19-13-15(11-10-14-6-2-1-3-7-14)12-18-16-8-4-5-9-17(16)20(18)19/h1-9,12-13H.
What are the key properties of 1-fluoro-3-(2-phenylethynyl)biphenylene?
1-fluoro-3-(2-phenylethynyl)biphenylene has a molecular weight of 270.31 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-phenylethynyl)biphenylene is sourced from PubChem (CID 134938935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).