2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline

C22H13F4NO — CID 2765463

IUPAC2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFc1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H13F4NO/c23-17-8-10-18(11-9-17)28-21-19(13-15-4-1-2-7-20(15)27-21)14-5-3-6-16(12-14)22(24,25)26/h1-13H
InChIKeyKABACIKGKJGKAZ-UHFFFAOYSA-N
MW383.34 g/mol
LogP6.85
Rot. Bonds3

About 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline

2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 2765463) has the molecular formula C22H13F4NO and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID2765463
Molecular FormulaC22H13F4NO
Molecular Weight383.34 g/mol
Exact Mass383.09
IUPAC Name2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFc1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H13F4NO/c23-17-8-10-18(11-9-17)28-21-19(13-15-4-1-2-7-20(15)27-21)14-5-3-6-16(12-14)22(24,25)26/h1-13H
InChIKeyKABACIKGKJGKAZ-UHFFFAOYSA-N
XLogP6.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.34
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline (CID 2765463) is 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline is Fc1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is KABACIKGKJGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4NO/c23-17-8-10-18(11-9-17)28-21-19(13-15-4-1-2-7-20(15)27-21)14-5-3-6-16(12-14)22(24,25)26/h1-13H.
What are the key properties of 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline?
2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 383.34 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 2765463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).