4-(5-bromo-2,3-difluorophenyl)morpholine

C10H10BrF2NO — CID 59588253

IUPAC4-(5-bromo-2,3-difluorophenyl)morpholine
SMILESFc1cc(Br)cc(N2CCOCC2)c1F
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyTUYFFDACBXICHR-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.56
Rot. Bonds1

About 4-(5-bromo-2,3-difluorophenyl)morpholine

4-(5-bromo-2,3-difluorophenyl)morpholine (PubChem CID 59588253) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenyl)morpholine
PubChem CID59588253
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name4-(5-bromo-2,3-difluorophenyl)morpholine
SMILESFc1cc(Br)cc(N2CCOCC2)c1F
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKeyTUYFFDACBXICHR-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
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-(5-bromo-2,3-difluorophenyl)morpholine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenyl)morpholine (CID 59588253) is 4-(5-bromo-2,3-difluorophenyl)morpholine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenyl)morpholine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenyl)morpholine is Fc1cc(Br)cc(N2CCOCC2)c1F.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenyl)morpholine?
The InChIKey is TUYFFDACBXICHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)14-1-3-15-4-2-14/h5-6H,1-4H2.
What are the key properties of 4-(5-bromo-2,3-difluorophenyl)morpholine?
4-(5-bromo-2,3-difluorophenyl)morpholine has a molecular weight of 278.10 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenyl)morpholine is sourced from PubChem (CID 59588253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).