(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone

C11H10BrF2NO2 — CID 685713

IUPAC(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Br)N1CCOCC1
InChIInChI=1S/C11H10BrF2NO2/c12-8-6-10(14)9(13)5-7(8)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyAKHXDSQZCYMAHL-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.20
Rot. Bonds1

About (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone

(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone (PubChem CID 685713) has the molecular formula C11H10BrF2NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone
PubChem CID685713
Molecular FormulaC11H10BrF2NO2
Molecular Weight306.11 g/mol
Exact Mass304.99
IUPAC Name(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Br)N1CCOCC1
InChIInChI=1S/C11H10BrF2NO2/c12-8-6-10(14)9(13)5-7(8)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2
InChIKeyAKHXDSQZCYMAHL-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.20
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 (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone (CID 685713) is (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone is O=C(c1cc(F)c(F)cc1Br)N1CCOCC1.
What is the InChIKey of (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone?
The InChIKey is AKHXDSQZCYMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO2/c12-8-6-10(14)9(13)5-7(8)11(16)15-1-3-17-4-2-15/h5-6H,1-4H2.
What are the key properties of (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone?
(2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone has a molecular weight of 306.11 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-difluorophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 685713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).