3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine

C20H21F4NO2 — CID 21348560

IUPAC3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESCc1cc(C(C)OC2OCCNC2c2ccc(F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H21F4NO2/c1-12-9-15(11-16(10-12)20(22,23)24)13(2)27-19-18(25-7-8-26-19)14-3-5-17(21)6-4-14/h3-6,9-11,13,18-19,25H,7-8H2,1-2H3
InChIKeyMAAWNYOEFXHWNC-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.92
Rot. Bonds4

About 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine

3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine (PubChem CID 21348560) has the molecular formula C20H21F4NO2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
PubChem CID21348560
Molecular FormulaC20H21F4NO2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
SMILESCc1cc(C(C)OC2OCCNC2c2ccc(F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H21F4NO2/c1-12-9-15(11-16(10-12)20(22,23)24)13(2)27-19-18(25-7-8-26-19)14-3-5-17(21)6-4-14/h3-6,9-11,13,18-19,25H,7-8H2,1-2H3
InChIKeyMAAWNYOEFXHWNC-UHFFFAOYSA-N
XLogP4.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The IUPAC name of 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine (CID 21348560) is 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The canonical SMILES for 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine is Cc1cc(C(C)OC2OCCNC2c2ccc(F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
The InChIKey is MAAWNYOEFXHWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4NO2/c1-12-9-15(11-16(10-12)20(22,23)24)13(2)27-19-18(25-7-8-26-19)14-3-5-17(21)6-4-14/h3-6,9-11,13,18-19,25H,7-8H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine?
3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine has a molecular weight of 383.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine is sourced from PubChem (CID 21348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).