4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine

C11H12Br2FNO — CID 177331450

IUPAC4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine
SMILESFc1c(Br)cc(CBr)cc1N1CCOCC1
InChIInChI=1S/C11H12Br2FNO/c12-7-8-5-9(13)11(14)10(6-8)15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyWZTCYSFGVYIZDP-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.32
Rot. Bonds2

About 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine

4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine (PubChem CID 177331450) has the molecular formula C11H12Br2FNO and a molecular weight of 353.03 g/mol. Its IUPAC name is 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine
PubChem CID177331450
Molecular FormulaC11H12Br2FNO
Molecular Weight353.03 g/mol
Exact Mass350.93
IUPAC Name4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine
SMILESFc1c(Br)cc(CBr)cc1N1CCOCC1
InChIInChI=1S/C11H12Br2FNO/c12-7-8-5-9(13)11(14)10(6-8)15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyWZTCYSFGVYIZDP-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.32
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-(3-Bromophenyl)morpholine
CID 4961268
4-(4-Bromo-3-methylphenyl)morpholine
CID 66806842
4-(2-Bromo-4-(trifluoromethyl)phenyl)morpholine
CID 18525884
4-(3-(Bromomethyl)phenyl)morpholine hydrobromide
CID 118995231
4-[4-(Bromomethyl)phenyl]morpholine hydrobromide
CID 132351154
4-[3-(Fluoromethyl)phenyl]morpholine
CID 177853383
4-[2-(Bromomethyl)phenyl]morpholine
CID 59510579
4-(3-Bromo-4-methylphenyl)morpholine
CID 79021519
4-(2-Fluoro-5-vinyl-phenyl)-morpholine
CID 21864662
4-(3-Bromo-5-fluorophenyl)morpholine
CID 44627366
4-(3-Fluoro-5-methylphenyl)morpholine
CID 58853384
4-(4-Fluoro-3-methylphenyl)morpholine
CID 58977032

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine?
The IUPAC name of 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine (CID 177331450) is 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine.
What is the SMILES notation for 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine?
The canonical SMILES for 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine is Fc1c(Br)cc(CBr)cc1N1CCOCC1.
What is the InChIKey of 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine?
The InChIKey is WZTCYSFGVYIZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FNO/c12-7-8-5-9(13)11(14)10(6-8)15-1-3-16-4-2-15/h5-6H,1-4,7H2.
What are the key properties of 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine?
4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine has a molecular weight of 353.03 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-(bromomethyl)-2-fluorophenyl]morpholine is sourced from PubChem (CID 177331450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).