2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine

C20H22F3NO3 — CID 23458462

IUPAC2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCOc1ccccc1OC(c1ccc(C(F)(F)F)cc1)C1CNCCO1
InChIInChI=1S/C20H22F3NO3/c1-2-25-16-5-3-4-6-17(16)27-19(18-13-24-11-12-26-18)14-7-9-15(10-8-14)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3
InChIKeyYLANGPYTJOXVDL-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.21
Rot. Bonds6

About 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine

2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 23458462) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID23458462
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC Name2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCCOc1ccccc1OC(c1ccc(C(F)(F)F)cc1)C1CNCCO1
InChIInChI=1S/C20H22F3NO3/c1-2-25-16-5-3-4-6-17(16)27-19(18-13-24-11-12-26-18)14-7-9-15(10-8-14)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3
InChIKeyYLANGPYTJOXVDL-UHFFFAOYSA-N
XLogP4.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 23458462) is 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine is CCOc1ccccc1OC(c1ccc(C(F)(F)F)cc1)C1CNCCO1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is YLANGPYTJOXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-2-25-16-5-3-4-6-17(16)27-19(18-13-24-11-12-26-18)14-7-9-15(10-8-14)20(21,22)23/h3-10,18-19,24H,2,11-13H2,1H3.
What are the key properties of 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine?
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 381.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 23458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).