4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine

C16H10F4N2O — CID 86692246

IUPAC4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESNc1cccc2c(Oc3cc(C(F)(F)F)ccc3F)ccnc12
InChIInChI=1S/C16H10F4N2O/c17-11-5-4-9(16(18,19)20)8-14(11)23-13-6-7-22-15-10(13)2-1-3-12(15)21/h1-8H,21H2
InChIKeyIGAORTDVLNPULO-UHFFFAOYSA-N
MW322.26 g/mol
LogP4.77
Rot. Bonds2

About 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine

4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine (PubChem CID 86692246) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
PubChem CID86692246
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
SMILESNc1cccc2c(Oc3cc(C(F)(F)F)ccc3F)ccnc12
InChIInChI=1S/C16H10F4N2O/c17-11-5-4-9(16(18,19)20)8-14(11)23-13-6-7-22-15-10(13)2-1-3-12(15)21/h1-8H,21H2
InChIKeyIGAORTDVLNPULO-UHFFFAOYSA-N
XLogP4.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 54.77
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-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine (CID 86692246) is 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine is Nc1cccc2c(Oc3cc(C(F)(F)F)ccc3F)ccnc12.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine?
The InChIKey is IGAORTDVLNPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-11-5-4-9(16(18,19)20)8-14(11)23-13-6-7-22-15-10(13)2-1-3-12(15)21/h1-8H,21H2.
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine?
4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine has a molecular weight of 322.26 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine is sourced from PubChem (CID 86692246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).