4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine

C12H14BrClFNO — CID 81210968

IUPAC4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1ccc(Br)cc1CN1CCOC(CCl)C1
InChIInChI=1S/C12H14BrClFNO/c13-10-1-2-12(15)9(5-10)7-16-3-4-17-11(6-14)8-16/h1-2,5,11H,3-4,6-8H2
InChIKeyNZYDNMJAWRVNEF-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.03
Rot. Bonds3

About 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine

4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine (PubChem CID 81210968) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
PubChem CID81210968
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1ccc(Br)cc1CN1CCOC(CCl)C1
InChIInChI=1S/C12H14BrClFNO/c13-10-1-2-12(15)9(5-10)7-16-3-4-17-11(6-14)8-16/h1-2,5,11H,3-4,6-8H2
InChIKeyNZYDNMJAWRVNEF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
CID 81210610
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
1-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959942
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine (CID 81210968) is 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine is Fc1ccc(Br)cc1CN1CCOC(CCl)C1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The InChIKey is NZYDNMJAWRVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c13-10-1-2-12(15)9(5-10)7-16-3-4-17-11(6-14)8-16/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine has a molecular weight of 322.61 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine is sourced from PubChem (CID 81210968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).