4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine

C14H18BrFINO — CID 90378724

IUPAC4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine
SMILESFc1cc(CCN2CCOCC2CCI)ccc1Br
InChIInChI=1S/C14H18BrFINO/c15-13-2-1-11(9-14(13)16)4-6-18-7-8-19-10-12(18)3-5-17/h1-2,9,12H,3-8,10H2
InChIKeyGIFOLIQXOYXVOC-UHFFFAOYSA-N
MW442.11 g/mol
LogP3.66
Rot. Bonds5

About 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine

4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine (PubChem CID 90378724) has the molecular formula C14H18BrFINO and a molecular weight of 442.11 g/mol. Its IUPAC name is 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine.

Molecular Properties

Compound Name4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine
PubChem CID90378724
Molecular FormulaC14H18BrFINO
Molecular Weight442.11 g/mol
Exact Mass440.96
IUPAC Name4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine
SMILESFc1cc(CCN2CCOCC2CCI)ccc1Br
InChIInChI=1S/C14H18BrFINO/c15-13-2-1-11(9-14(13)16)4-6-18-7-8-19-10-12(18)3-5-17/h1-2,9,12H,3-8,10H2
InChIKeyGIFOLIQXOYXVOC-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
CID 582517
4-(4-Bromobenzyl)morpholine
CID 783503
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
4-(4-Bromophenethyl)morpholine
CID 12177801
4-[3-(3-Bromophenyl)propyl]morpholine
CID 46739426
4-[(5E)-5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
CID 5787351
4-[3-(4-Bromophenyl)propyl]morpholine
CID 22179832
4-(4-Bromo-3-fluorobenzyl)morpholine
CID 53417818
cis-4-(4-Bromo-2-fluorobenzyl)-2,6-dimethylmorpholine
CID 58266689
4-(4-Bromo-2,6-difluorobenzyl)morpholine
CID 59392758
(3S,5S)-4-(4-bromo-3-fluorobenzyl)-3,5-dimethylmorpholine
CID 59543856
(S)-4-(4-Bromo-2,5-difluorobenzyl)-3-methylmorpholine
CID 59543858

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine?
The IUPAC name of 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine (CID 90378724) is 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine.
What is the SMILES notation for 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine?
The canonical SMILES for 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine is Fc1cc(CCN2CCOCC2CCI)ccc1Br.
What is the InChIKey of 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine?
The InChIKey is GIFOLIQXOYXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFINO/c15-13-2-1-11(9-14(13)16)4-6-18-7-8-19-10-12(18)3-5-17/h1-2,9,12H,3-8,10H2.
What are the key properties of 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine?
4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine has a molecular weight of 442.11 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-3-fluorophenyl)ethyl]-3-(2-iodoethyl)morpholine is sourced from PubChem (CID 90378724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).