3-[4-(4-fluorophenyl)phenyl]quinoline

C21H14FN — CID 171056588

IUPAC3-[4-(4-fluorophenyl)phenyl]quinoline
SMILESFc1ccc(-c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C21H14FN/c22-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)23-14-19/h1-14H
InChIKeyBTRCGKQLIFAEPJ-UHFFFAOYSA-N
MW299.35 g/mol
LogP5.71
Rot. Bonds2

About 3-[4-(4-fluorophenyl)phenyl]quinoline

3-[4-(4-fluorophenyl)phenyl]quinoline (PubChem CID 171056588) has the molecular formula C21H14FN and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]quinoline.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]quinoline
PubChem CID171056588
Molecular FormulaC21H14FN
Molecular Weight299.35 g/mol
Exact Mass299.11
IUPAC Name3-[4-(4-fluorophenyl)phenyl]quinoline
SMILESFc1ccc(-c2ccc(-c3cnc4ccccc4c3)cc2)cc1
InChIInChI=1S/C21H14FN/c22-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)23-14-19/h1-14H
InChIKeyBTRCGKQLIFAEPJ-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.35
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]quinoline?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]quinoline (CID 171056588) is 3-[4-(4-fluorophenyl)phenyl]quinoline.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]quinoline?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]quinoline is Fc1ccc(-c2ccc(-c3cnc4ccccc4c3)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]quinoline?
The InChIKey is BTRCGKQLIFAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN/c22-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)23-14-19/h1-14H.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]quinoline?
3-[4-(4-fluorophenyl)phenyl]quinoline has a molecular weight of 299.35 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]quinoline is sourced from PubChem (CID 171056588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).