4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one

C11H10BrF2NO2 — CID 66765501

IUPAC4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CBr)c1F
InChIInChI=1S/C11H10BrF2NO2/c12-5-7-3-8(13)4-9(11(7)14)15-1-2-17-6-10(15)16/h3-4H,1-2,5-6H2
InChIKeyQGOXRJUJBKPRPJ-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.22
Rot. Bonds2

About 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one

4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one (PubChem CID 66765501) has the molecular formula C11H10BrF2NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one
PubChem CID66765501
Molecular FormulaC11H10BrF2NO2
Molecular Weight306.11 g/mol
Exact Mass304.99
IUPAC Name4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CBr)c1F
InChIInChI=1S/C11H10BrF2NO2/c12-5-7-3-8(13)4-9(11(7)14)15-1-2-17-6-10(15)16/h3-4H,1-2,5-6H2
InChIKeyQGOXRJUJBKPRPJ-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one?
The IUPAC name of 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one (CID 66765501) is 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one?
The canonical SMILES for 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one is O=C1COCCN1c1cc(F)cc(CBr)c1F.
What is the InChIKey of 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one?
The InChIKey is QGOXRJUJBKPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO2/c12-5-7-3-8(13)4-9(11(7)14)15-1-2-17-6-10(15)16/h3-4H,1-2,5-6H2.
What are the key properties of 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one?
4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one has a molecular weight of 306.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(bromomethyl)-2,5-difluorophenyl]morpholin-3-one is sourced from PubChem (CID 66765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).