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

C12H14Br2FNO — CID 81212861

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
SMILESFc1cc(Br)ccc1CN1CCOC(CBr)C1
InChIInChI=1S/C12H14Br2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(14)5-12(9)15/h1-2,5,11H,3-4,6-8H2
InChIKeyRBKMMOOAVYLNED-UHFFFAOYSA-N
MW367.06 g/mol
LogP3.18
Rot. Bonds3

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

4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine (PubChem CID 81212861) has the molecular formula C12H14Br2FNO and a molecular weight of 367.06 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
PubChem CID81212861
Molecular FormulaC12H14Br2FNO
Molecular Weight367.06 g/mol
Exact Mass364.94
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
SMILESFc1cc(Br)ccc1CN1CCOC(CBr)C1
InChIInChI=1S/C12H14Br2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(14)5-12(9)15/h1-2,5,11H,3-4,6-8H2
InChIKeyRBKMMOOAVYLNED-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 120844485
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine (CID 81212861) is 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine is Fc1cc(Br)ccc1CN1CCOC(CBr)C1.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine?
The InChIKey is RBKMMOOAVYLNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(14)5-12(9)15/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine?
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine has a molecular weight of 367.06 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine is sourced from PubChem (CID 81212861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).