4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine

C15H12F6N2O — CID 16728105

IUPAC4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(23-4-6-24-7-5-23)8-12(15(19,20)21)22-13(9)10/h1-3,8H,4-7H2
InChIKeyKGLHWLQRMULYDW-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.11
Rot. Bonds1

About 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine

4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine (PubChem CID 16728105) has the molecular formula C15H12F6N2O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
PubChem CID16728105
Molecular FormulaC15H12F6N2O
Molecular Weight350.26 g/mol
Exact Mass350.09
IUPAC Name4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFC(F)(F)c1cc(N2CCOCC2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(23-4-6-24-7-5-23)8-12(15(19,20)21)22-13(9)10/h1-3,8H,4-7H2
InChIKeyKGLHWLQRMULYDW-UHFFFAOYSA-N
XLogP4.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine?
The IUPAC name of 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine (CID 16728105) is 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine?
The canonical SMILES for 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine is FC(F)(F)c1cc(N2CCOCC2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine?
The InChIKey is KGLHWLQRMULYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(23-4-6-24-7-5-23)8-12(15(19,20)21)22-13(9)10/h1-3,8H,4-7H2.
What are the key properties of 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine?
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine has a molecular weight of 350.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine is sourced from PubChem (CID 16728105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).