4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine

C16H11F3N2O — CID 71678550

IUPAC4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-6-11(7-5-10)22-14-8-9-21-15-12(14)2-1-3-13(15)20/h1-9H,20H2
InChIKeyZOZCCELDWDKRLC-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.63
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine

4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine (PubChem CID 71678550) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
PubChem CID71678550
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESNc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-6-11(7-5-10)22-14-8-9-21-15-12(14)2-1-3-13(15)20/h1-9H,20H2
InChIKeyZOZCCELDWDKRLC-UHFFFAOYSA-N
XLogP4.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine (CID 71678550) is 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine is Nc1cccc2c(Oc3ccc(C(F)(F)F)cc3)ccnc12.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine?
The InChIKey is ZOZCCELDWDKRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)10-4-6-11(7-5-10)22-14-8-9-21-15-12(14)2-1-3-13(15)20/h1-9H,20H2.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine?
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine has a molecular weight of 304.27 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine is sourced from PubChem (CID 71678550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).