4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine

C11H12BrF2NO — CID 59543861

IUPAC4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)c(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyNFRLYEJWXGBQSR-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.56
Rot. Bonds2

About 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine

4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine (PubChem CID 59543861) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine
PubChem CID59543861
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine
SMILESFc1cc(CN2CCOCC2)c(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2
InChIKeyNFRLYEJWXGBQSR-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine (CID 59543861) is 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine is Fc1cc(CN2CCOCC2)c(F)cc1Br.
What is the InChIKey of 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine?
The InChIKey is NFRLYEJWXGBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-9-6-10(13)8(5-11(9)14)7-15-1-3-16-4-2-15/h5-6H,1-4,7H2.
What are the key properties of 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine?
4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine has a molecular weight of 292.12 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2,5-difluorophenyl)methyl]morpholine is sourced from PubChem (CID 59543861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).