4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine

C14H12F4N2O — CID 2823581

IUPAC4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFc1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1
InChIInChI=1S/C14H12F4N2O/c15-9-1-2-11-10(7-9)12(20-3-5-21-6-4-20)8-13(19-11)14(16,17)18/h1-2,7-8H,3-6H2
InChIKeyYKLFMOMVAFNGQX-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.23
Rot. Bonds1

About 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine

4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine (PubChem CID 2823581) has the molecular formula C14H12F4N2O and a molecular weight of 300.25 g/mol. Its IUPAC name is 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine
PubChem CID2823581
Molecular FormulaC14H12F4N2O
Molecular Weight300.25 g/mol
Exact Mass300.09
IUPAC Name4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFc1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1
InChIInChI=1S/C14H12F4N2O/c15-9-1-2-11-10(7-9)12(20-3-5-21-6-4-20)8-13(19-11)14(16,17)18/h1-2,7-8H,3-6H2
InChIKeyYKLFMOMVAFNGQX-UHFFFAOYSA-N
XLogP3.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine?
The IUPAC name of 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine (CID 2823581) is 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine?
The canonical SMILES for 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine is Fc1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine?
The InChIKey is YKLFMOMVAFNGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c15-9-1-2-11-10(7-9)12(20-3-5-21-6-4-20)8-13(19-11)14(16,17)18/h1-2,7-8H,3-6H2.
What are the key properties of 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine?
4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine has a molecular weight of 300.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]morpholine is sourced from PubChem (CID 2823581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).