2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline

C22H14F3NO — CID 167050152

IUPAC2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H14F3NO/c23-22(24,25)18-14-21(26-19-12-6-4-11-17(18)19)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14H
InChIKeyQAGZASOFESQLEV-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.71
Rot. Bonds3

About 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline

2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline (PubChem CID 167050152) has the molecular formula C22H14F3NO and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline
PubChem CID167050152
Molecular FormulaC22H14F3NO
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H14F3NO/c23-22(24,25)18-14-21(26-19-12-6-4-11-17(18)19)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14H
InChIKeyQAGZASOFESQLEV-UHFFFAOYSA-N
XLogP6.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline?
The IUPAC name of 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline (CID 167050152) is 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline?
The InChIKey is QAGZASOFESQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO/c23-22(24,25)18-14-21(26-19-12-6-4-11-17(18)19)27-20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline?
2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline has a molecular weight of 365.35 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 167050152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).