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

C11H13BrFNO — CID 172689726

IUPAC4-bromo-2-[(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(CC2CN(Br)CCO2)c1
InChIInChI=1S/C11H13BrFNO/c12-14-4-5-15-11(8-14)7-9-2-1-3-10(13)6-9/h1-3,6,11H,4-5,7-8H2
InChIKeyBNBKNPYROGDTJP-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.38
Rot. Bonds2

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

4-bromo-2-[(3-fluorophenyl)methyl]morpholine (PubChem CID 172689726) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-bromo-2-[(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-bromo-2-[(3-fluorophenyl)methyl]morpholine
PubChem CID172689726
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-bromo-2-[(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(CC2CN(Br)CCO2)c1
InChIInChI=1S/C11H13BrFNO/c12-14-4-5-15-11(8-14)7-9-2-1-3-10(13)6-9/h1-3,6,11H,4-5,7-8H2
InChIKeyBNBKNPYROGDTJP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 102604304
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95555442
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-bromo-2-[(3-fluorophenyl)methyl]morpholine (CID 172689726) is 4-bromo-2-[(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-bromo-2-[(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-bromo-2-[(3-fluorophenyl)methyl]morpholine is Fc1cccc(CC2CN(Br)CCO2)c1.
What is the InChIKey of 4-bromo-2-[(3-fluorophenyl)methyl]morpholine?
The InChIKey is BNBKNPYROGDTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-14-4-5-15-11(8-14)7-9-2-1-3-10(13)6-9/h1-3,6,11H,4-5,7-8H2.
What are the key properties of 4-bromo-2-[(3-fluorophenyl)methyl]morpholine?
4-bromo-2-[(3-fluorophenyl)methyl]morpholine has a molecular weight of 274.13 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 172689726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).