2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone

C12H13BrFNO2 — CID 116561614

IUPAC2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(F)cc1Br)C1CNCCO1
InChIInChI=1S/C12H13BrFNO2/c13-10-6-9(14)2-1-8(10)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2
InChIKeyRAGJTWKCKNXZEW-UHFFFAOYSA-N
MW302.14 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone

2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone (PubChem CID 116561614) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
PubChem CID116561614
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(F)cc1Br)C1CNCCO1
InChIInChI=1S/C12H13BrFNO2/c13-10-6-9(14)2-1-8(10)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2
InChIKeyRAGJTWKCKNXZEW-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 79667003
2-(4-hydroxyphenyl)-1-morpholin-2-ylethanone
CID 116561735
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(3-fluoro-4-nitrophenyl)-1-morpholin-2-ylethanone
CID 175008765
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(4-fluoro-3-nitrophenyl)-1-morpholin-2-ylethanone
CID 175010779
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone (CID 116561614) is 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone is O=C(Cc1ccc(F)cc1Br)C1CNCCO1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone?
The InChIKey is RAGJTWKCKNXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-10-6-9(14)2-1-8(10)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone?
2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone has a molecular weight of 302.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 116561614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).