4-[(3-bromo-2-fluorophenyl)methyl]morpholine

C11H13BrFNO — CID 70699667

IUPAC4-[(3-bromo-2-fluorophenyl)methyl]morpholine
SMILESFc1c(Br)cccc1CN1CCOCC1
InChIInChI=1S/C11H13BrFNO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyCAIURMIERZMRKZ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds2

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

4-[(3-bromo-2-fluorophenyl)methyl]morpholine (PubChem CID 70699667) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-[(3-bromo-2-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromo-2-fluorophenyl)methyl]morpholine
PubChem CID70699667
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-[(3-bromo-2-fluorophenyl)methyl]morpholine
SMILESFc1c(Br)cccc1CN1CCOCC1
InChIInChI=1S/C11H13BrFNO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyCAIURMIERZMRKZ-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

1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
CID 117171194
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
5-[[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171704371
trifluoro-[2-(morpholin-4-ylmethyl)phenyl]boranuide
CID 53488026
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 39998547
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(3-bromo-2-fluorophenyl)methyl]morpholine (CID 70699667) is 4-[(3-bromo-2-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromo-2-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromo-2-fluorophenyl)methyl]morpholine is Fc1c(Br)cccc1CN1CCOCC1.
What is the InChIKey of 4-[(3-bromo-2-fluorophenyl)methyl]morpholine?
The InChIKey is CAIURMIERZMRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-3-1-2-9(11(10)13)8-14-4-6-15-7-5-14/h1-3H,4-8H2.
What are the key properties of 4-[(3-bromo-2-fluorophenyl)methyl]morpholine?
4-[(3-bromo-2-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-[(3-bromo-2-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 70699667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).