3-(4-bromo-3,5-difluorophenyl)morpholine

C10H10BrF2NO — CID 84811254

IUPAC3-(4-bromo-3,5-difluorophenyl)morpholine
SMILESFc1cc(C2COCCN2)cc(F)c1Br
InChIInChI=1S/C10H10BrF2NO/c11-10-7(12)3-6(4-8(10)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2
InChIKeyPXEMGMGAYFFUPQ-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.39
Rot. Bonds1

About 3-(4-bromo-3,5-difluorophenyl)morpholine

3-(4-bromo-3,5-difluorophenyl)morpholine (PubChem CID 84811254) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 3-(4-bromo-3,5-difluorophenyl)morpholine.

Molecular Properties

Compound Name3-(4-bromo-3,5-difluorophenyl)morpholine
PubChem CID84811254
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name3-(4-bromo-3,5-difluorophenyl)morpholine
SMILESFc1cc(C2COCCN2)cc(F)c1Br
InChIInChI=1S/C10H10BrF2NO/c11-10-7(12)3-6(4-8(10)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2
InChIKeyPXEMGMGAYFFUPQ-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-difluorophenyl)morpholine?
The IUPAC name of 3-(4-bromo-3,5-difluorophenyl)morpholine (CID 84811254) is 3-(4-bromo-3,5-difluorophenyl)morpholine.
What is the SMILES notation for 3-(4-bromo-3,5-difluorophenyl)morpholine?
The canonical SMILES for 3-(4-bromo-3,5-difluorophenyl)morpholine is Fc1cc(C2COCCN2)cc(F)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-difluorophenyl)morpholine?
The InChIKey is PXEMGMGAYFFUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-10-7(12)3-6(4-8(10)13)9-5-15-2-1-14-9/h3-4,9,14H,1-2,5H2.
What are the key properties of 3-(4-bromo-3,5-difluorophenyl)morpholine?
3-(4-bromo-3,5-difluorophenyl)morpholine has a molecular weight of 278.10 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-difluorophenyl)morpholine is sourced from PubChem (CID 84811254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).