1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone

C12H13BrFNO2 — CID 57418682

IUPAC1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H13BrFNO2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyRCVMXSRFYXVSKW-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.10
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone

1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone (PubChem CID 57418682) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone
PubChem CID57418682
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H13BrFNO2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyRCVMXSRFYXVSKW-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone (CID 57418682) is 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone?
The InChIKey is RCVMXSRFYXVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone?
1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone has a molecular weight of 302.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 57418682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).