4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine

C21H19F4NO3 — CID 118033773

IUPAC4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine
SMILESFc1ccc(C2=C(CN3CCOCC3)COc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C21H19F4NO3/c22-16-3-1-14(2-4-16)20-15(12-26-7-9-27-10-8-26)13-28-19-6-5-17(11-18(19)20)29-21(23,24)25/h1-6,11H,7-10,12-13H2
InChIKeyOSSHZBJNUPJGPX-UHFFFAOYSA-N
MW409.38 g/mol
LogP4.25
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine

4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine (PubChem CID 118033773) has the molecular formula C21H19F4NO3 and a molecular weight of 409.38 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine
PubChem CID118033773
Molecular FormulaC21H19F4NO3
Molecular Weight409.38 g/mol
Exact Mass409.13
IUPAC Name4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine
SMILESFc1ccc(C2=C(CN3CCOCC3)COc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C21H19F4NO3/c22-16-3-1-14(2-4-16)20-15(12-26-7-9-27-10-8-26)13-28-19-6-5-17(11-18(19)20)29-21(23,24)25/h1-6,11H,7-10,12-13H2
InChIKeyOSSHZBJNUPJGPX-UHFFFAOYSA-N
XLogP4.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine (CID 118033773) is 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine is Fc1ccc(C2=C(CN3CCOCC3)COc3ccc(OC(F)(F)F)cc32)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine?
The InChIKey is OSSHZBJNUPJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4NO3/c22-16-3-1-14(2-4-16)20-15(12-26-7-9-27-10-8-26)13-28-19-6-5-17(11-18(19)20)29-21(23,24)25/h1-6,11H,7-10,12-13H2.
What are the key properties of 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine?
4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine has a molecular weight of 409.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]methyl]morpholine is sourced from PubChem (CID 118033773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).