4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine

C21H21F4NO3 — CID 2989740

IUPAC4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
SMILESCCOc1ccc(Oc2c(F)c(F)c(C=CCN3CCOCC3)c(F)c2F)cc1
InChIInChI=1S/C21H21F4NO3/c1-2-28-14-5-7-15(8-6-14)29-21-19(24)17(22)16(18(23)20(21)25)4-3-9-26-10-12-27-13-11-26/h3-8H,2,9-13H2,1H3
InChIKeyYKEINGGVJNBZLX-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.78
Rot. Bonds7

About 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine

4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine (PubChem CID 2989740) has the molecular formula C21H21F4NO3 and a molecular weight of 411.40 g/mol. Its IUPAC name is 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
PubChem CID2989740
Molecular FormulaC21H21F4NO3
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC Name4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
SMILESCCOc1ccc(Oc2c(F)c(F)c(C=CCN3CCOCC3)c(F)c2F)cc1
InChIInChI=1S/C21H21F4NO3/c1-2-28-14-5-7-15(8-6-14)29-21-19(24)17(22)16(18(23)20(21)25)4-3-9-26-10-12-27-13-11-26/h3-8H,2,9-13H2,1H3
InChIKeyYKEINGGVJNBZLX-UHFFFAOYSA-N
XLogP4.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The IUPAC name of 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine (CID 2989740) is 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is CCOc1ccc(Oc2c(F)c(F)c(C=CCN3CCOCC3)c(F)c2F)cc1.
What is the InChIKey of 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
The InChIKey is YKEINGGVJNBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4NO3/c1-2-28-14-5-7-15(8-6-14)29-21-19(24)17(22)16(18(23)20(21)25)4-3-9-26-10-12-27-13-11-26/h3-8H,2,9-13H2,1H3.
What are the key properties of 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine?
4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine has a molecular weight of 411.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine is sourced from PubChem (CID 2989740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).