4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine

C14H15F4NO2 — CID 2989142

IUPAC4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
SMILESCOc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F
InChIInChI=1S/C14H15F4NO2/c1-20-14-12(17)10(15)9(11(16)13(14)18)3-2-4-19-5-7-21-8-6-19/h2-3H,4-8H2,1H3
InChIKeyQGPIUSNXBQGGGL-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.60
Rot. Bonds4

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

4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine (PubChem CID 2989142) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
PubChem CID2989142
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
SMILESCOc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F
InChIInChI=1S/C14H15F4NO2/c1-20-14-12(17)10(15)9(11(16)13(14)18)3-2-4-19-5-7-21-8-6-19/h2-3H,4-8H2,1H3
InChIKeyQGPIUSNXBQGGGL-UHFFFAOYSA-N
XLogP2.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propoxyphenyl)prop-2-enyl]morpholine;hydrochloride
CID 2990923
4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
CID 2990449
4-[3-[4-(4-ethoxyphenoxy)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 2989740
4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholine
CID 1301333
1-[4-[2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)phenoxy]phenyl]propan-1-one
CID 2985362
N-benzyl-2,3,5,6-tetrafluoro-4-(3-morpholin-4-ylprop-1-enyl)aniline
CID 2961470
4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
CID 18191807
4-[(E)-but-2-enyl]morpholine
CID 10909666
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
CID 67933533

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine?
The IUPAC name of 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine (CID 2989142) is 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine.
What is the SMILES notation for 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine?
The canonical SMILES for 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine is COc1c(F)c(F)c(C=CCN2CCOCC2)c(F)c1F.
What is the InChIKey of 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine?
The InChIKey is QGPIUSNXBQGGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c1-20-14-12(17)10(15)9(11(16)13(14)18)3-2-4-19-5-7-21-8-6-19/h2-3H,4-8H2,1H3.
What are the key properties of 4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine?
4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine has a molecular weight of 305.27 g/mol, XLogP of 2.60, 4 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-methoxyphenyl)prop-2-enyl]morpholine is sourced from PubChem (CID 2989142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).