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

C15H12F6N2O — CID 56881153

IUPAC2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFC(F)(F)c1cccc2c(N3CCOC(C(F)(F)F)C3)ccnc12
InChIInChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(4-5-22-13(9)10)23-6-7-24-12(8-23)15(19,20)21/h1-5,12H,6-8H2
InChIKeyMRVMHLDWKRRDGU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.02
Rot. Bonds1

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

2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine (PubChem CID 56881153) has the molecular formula C15H12F6N2O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
PubChem CID56881153
Molecular FormulaC15H12F6N2O
Molecular Weight350.26 g/mol
Exact Mass350.09
IUPAC Name2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
SMILESFC(F)(F)c1cccc2c(N3CCOC(C(F)(F)F)C3)ccnc12
InChIInChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(4-5-22-13(9)10)23-6-7-24-12(8-23)15(19,20)21/h1-5,12H,6-8H2
InChIKeyMRVMHLDWKRRDGU-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine?
The IUPAC name of 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine (CID 56881153) is 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine.
What is the SMILES notation for 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine?
The canonical SMILES for 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine is FC(F)(F)c1cccc2c(N3CCOC(C(F)(F)F)C3)ccnc12.
What is the InChIKey of 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine?
The InChIKey is MRVMHLDWKRRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O/c16-14(17,18)10-3-1-2-9-11(4-5-22-13(9)10)23-6-7-24-12(8-23)15(19,20)21/h1-5,12H,6-8H2.
What are the key properties of 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine?
2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine has a molecular weight of 350.26 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine is sourced from PubChem (CID 56881153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).