4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine

C11H12BrF2NO — CID 59392758

IUPAC4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine
SMILESFc1cc(Br)cc(F)c1CN1CCOCC1
InChIInChI=1S/C11H12BrF2NO/c12-8-5-10(13)9(11(14)6-8)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyDXXXUBUNRAGOPP-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.56
Rot. Bonds2

About 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine

4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine (PubChem CID 59392758) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine
PubChem CID59392758
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine
SMILESFc1cc(Br)cc(F)c1CN1CCOCC1
InChIInChI=1S/C11H12BrF2NO/c12-8-5-10(13)9(11(14)6-8)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyDXXXUBUNRAGOPP-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
CID 582517
4-(4-Bromobenzyl)morpholine
CID 783503
4-(2-Bromobenzyl)morpholine
CID 2845477
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
(4-Bromophenyl)(morpholino)methanethione
CID 812266
2-[4-[(4-Bromophenyl)methyl]piperazin-1-yl]ethanol
CID 768218
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
4-(2,5-Difluorobenzyl)morpholine
CID 743078
4-(3-Bromo-4-fluorobenzyl)morpholine
CID 782859
4-(3,4-Difluorobenzyl)morpholine
CID 783106

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine (CID 59392758) is 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine is Fc1cc(Br)cc(F)c1CN1CCOCC1.
What is the InChIKey of 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine?
The InChIKey is DXXXUBUNRAGOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-8-5-10(13)9(11(14)6-8)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2.
What are the key properties of 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine?
4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine has a molecular weight of 292.12 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,6-difluorophenyl)methyl]morpholine is sourced from PubChem (CID 59392758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).