4-[(4-bromo-3-fluorophenyl)methyl]morpholine

C11H13BrFNO — CID 53417818

IUPAC4-[(4-bromo-3-fluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)ccc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyAXLRZCPFGFYXIS-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds2

About 4-[(4-bromo-3-fluorophenyl)methyl]morpholine

4-[(4-bromo-3-fluorophenyl)methyl]morpholine (PubChem CID 53417818) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenyl)methyl]morpholine
PubChem CID53417818
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-[(4-bromo-3-fluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)ccc1Br
InChIInChI=1S/C11H13BrFNO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyAXLRZCPFGFYXIS-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzylmorpholine
CID 249546
4-(3-Bromobenzyl)morpholine
CID 783082
2-[(4-Bromobenzyl)-(2-hydroxy-ethyl)-amino]-ethanol
CID 784350
2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
CID 582517
1-(4-Bromobenzyl)piperidine
CID 16495045
4-(4-Bromobenzyl)morpholine
CID 783503
2-[(4-Bromobenzyl)(propyl)amino]ethanol
CID 783142
Cambridge id 5429724
CID 783443
N-(3-bromobenzyl)-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189528
4-(2-Bromobenzyl)morpholine
CID 2845477
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-3-fluorophenyl)methyl]morpholine (CID 53417818) is 4-[(4-bromo-3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-3-fluorophenyl)methyl]morpholine is Fc1cc(CN2CCOCC2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-fluorophenyl)methyl]morpholine?
The InChIKey is AXLRZCPFGFYXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(4-bromo-3-fluorophenyl)methyl]morpholine?
4-[(4-bromo-3-fluorophenyl)methyl]morpholine has a molecular weight of 274.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 53417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).