2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine

C12H14BrClFNO — CID 103041391

IUPAC2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(CBr)C2)cc1Cl
InChIInChI=1S/C12H14BrClFNO/c13-6-10-8-16(3-4-17-10)7-9-1-2-12(15)11(14)5-9/h1-2,5,10H,3-4,6-8H2
InChIKeyVTYODJKNMPHKNL-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.07
Rot. Bonds3

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

2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine (PubChem CID 103041391) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
PubChem CID103041391
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(CN2CCOC(CBr)C2)cc1Cl
InChIInChI=1S/C12H14BrClFNO/c13-6-10-8-16(3-4-17-10)7-9-1-2-12(15)11(14)5-9/h1-2,5,10H,3-4,6-8H2
InChIKeyVTYODJKNMPHKNL-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
CID 81213537
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine (CID 103041391) is 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine is Fc1ccc(CN2CCOC(CBr)C2)cc1Cl.
What is the InChIKey of 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine?
The InChIKey is VTYODJKNMPHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c13-6-10-8-16(3-4-17-10)7-9-1-2-12(15)11(14)5-9/h1-2,5,10H,3-4,6-8H2.
What are the key properties of 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine?
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine has a molecular weight of 322.61 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 103041391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).