4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride

C16H20ClF4NO2 — CID 2990923

IUPAC4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
SMILESCCCOc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl
InChIInChI=1S/C16H19F4NO2.ClH/c1-2-8-23-16-14(19)12(17)11(13(18)15(16)20)4-3-5-21-6-9-22-10-7-21;/h3-4H,2,5-10H2,1H3;1H
InChIKeyXCNRUWAJPCBNNG-UHFFFAOYSA-N
MW369.79 g/mol
LogP3.80
Rot. Bonds6

About 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride

4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride (PubChem CID 2990923) has the molecular formula C16H20ClF4NO2 and a molecular weight of 369.79 g/mol. Its IUPAC name is 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
PubChem CID2990923
Molecular FormulaC16H20ClF4NO2
Molecular Weight369.79 g/mol
Exact Mass369.11
IUPAC Name4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
SMILESCCCOc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl
InChIInChI=1S/C16H19F4NO2.ClH/c1-2-8-23-16-14(19)12(17)11(13(18)15(16)20)4-3-5-21-6-9-22-10-7-21;/h3-4H,2,5-10H2,1H3;1H
InChIKeyXCNRUWAJPCBNNG-UHFFFAOYSA-N
XLogP3.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
CID 2989142
4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 2989740
4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
CID 2990449
1-[4-[2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)phenoxy]phenyl]propan-1-one
CID 2985362
4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 1301333
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
CID 2961470
4-[(E)-but-2-enyl]morpholine
CID 10909666
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-[(E)-4,4-dimethylpent-2-enyl]morpholine
CID 21060370
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride (CID 2990923) is 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride is CCCOc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl.
What is the InChIKey of 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride?
The InChIKey is XCNRUWAJPCBNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4NO2.ClH/c1-2-8-23-16-14(19)12(17)11(13(18)15(16)20)4-3-5-21-6-9-22-10-7-21;/h3-4H,2,5-10H2,1H3;1H.
What are the key properties of 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride?
4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride has a molecular weight of 369.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,5,6-tetrafluoro-4-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 2990923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).