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

C20H20ClF4NO3 — CID 2990449

IUPAC4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
SMILESCOc1ccccc1Oc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl
InChIInChI=1S/C20H19F4NO3.ClH/c1-26-14-6-2-3-7-15(14)28-20-18(23)16(21)13(17(22)19(20)24)5-4-8-25-9-11-27-12-10-25;/h2-7H,8-12H2,1H3;1H
InChIKeyDJWGLNDHZKEKPC-UHFFFAOYSA-N
MW433.83 g/mol
LogP4.81
Rot. Bonds6

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

4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride (PubChem CID 2990449) has the molecular formula C20H20ClF4NO3 and a molecular weight of 433.83 g/mol. Its IUPAC name is 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
PubChem CID2990449
Molecular FormulaC20H20ClF4NO3
Molecular Weight433.83 g/mol
Exact Mass433.11
IUPAC Name4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
SMILESCOc1ccccc1Oc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl
InChIInChI=1S/C20H19F4NO3.ClH/c1-26-14-6-2-3-7-15(14)28-20-18(23)16(21)13(17(22)19(20)24)5-4-8-25-9-11-27-12-10-25;/h2-7H,8-12H2,1H3;1H
InChIKeyDJWGLNDHZKEKPC-UHFFFAOYSA-N
XLogP4.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
CID 2990923
1-[4-[2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)phenoxy]phenyl]propan-1-one
CID 2985362
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
CID 1380018
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
CID 2961470
4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 1301333
4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
CID 67933533
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
1-[bis(4-fluorophenyl)methyl]-4-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 3025637
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 127265694

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride (CID 2990449) is 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride is COc1ccccc1Oc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.Cl.
What is the InChIKey of 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride?
The InChIKey is DJWGLNDHZKEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4NO3.ClH/c1-26-14-6-2-3-7-15(14)28-20-18(23)16(21)13(17(22)19(20)24)5-4-8-25-9-11-27-12-10-25;/h2-7H,8-12H2,1H3;1H.
What are the key properties of 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride?
4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride has a molecular weight of 433.83 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride is sourced from PubChem (CID 2990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).